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A high-resolution powder synchrotron X-ray diffraction pattern of the Γ form of D-sorbitol has been recorded at 293 K on the BM1B beamline at the ESRF (Grenoble). The starting model of the structure was found by Monte Carlo simulated annealing. The final structure was obtained through Rietveld refinements performed with soft restraints on interatomic bond lengths and angles. The symmetry is orthorhombic, space group P21212, with 12 molecules within the cell [a = 24.3012 (2), b = 20.5726 (2), c = 4.8672 (1) Å, V = 2433.30 (3) Å3, Z′ = 3, 36 non-H independent atoms]. Crystalline cohesion between neighbouring molecules is achieved by three networks of O—H...O hydrogen bonds. The width of the Bragg peaks is interpreted through a microstructural approach in terms of anisotropic strain effects.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0021889804016206/hx5008sup1.cif
Contains datablocks global, gamma-sorbitol

rtv

Rietveld powder data file (CIF format) https://doi.org/10.1107/S0021889804016206/hx5008sup2.rtv
Contains datablock powder

pdf

Portable Document Format (PDF) file https://doi.org/10.1107/S0021889804016206/hx5008sup3.pdf
Supplementary material

CCDC reference: 254343

Computing details top

Data collection: PEAKOC; program(s) used to solve structure: FOX; program(s) used to refine structure: FULLPROF; molecular graphics: ORTEP-3; software used to prepare material for publication: SHELX97 and PARST.

Figures top
[Figure 1] Fig. 1. : Part of the experimental synchrotron X-ray pattern of gamma-sorbitol showing the (0, 0, 1) Bragg peak (located by a vertical bar).
[Figure 2] Fig. 2. : Final Rietveld plot of gamma-sorbitol. Observed data points are indicated by dots, the best-fit profile (upper trace) and the difference pattern (lower trace) are solid lines. The vertical bars indicate the positions of Bragg peaks.
[Figure 3] Fig. 3. : Atomic numbering and molecular structure of gamma-sorbitol.
[Figure 4] Fig. 4. : Projection of the unit cell of gamma-sorbitol along c. For the sake of clarity, H atoms have been omitted. Dashed lines correspond to O–H···O hydrogen bonds.
[Figure 5] Fig. 5. : Calculated strain effects in (a, b), (a, c) and (b, c) planes for gamma-sorbitol.
(gamma-sorbitol) top
Crystal data top
C6H14O6V = 2433.30 (3) Å3
Mr = 182.17Z = 12
Orthorhombic, P21212BM01B, ESRF radiation, λ = 0.499570 Å
Hall symbol: P 2 2abµ = 0.13 mm1
a = 24.30122 (17) ÅT = 293 K
b = 20.57261 (14) Åwhite
c = 4.86719 (3) Åcylinder, diameter 1.5 mm, ? × ? × ? mm
Data collection top
BM01B, ESRF
diffractometer
Scan method: step
Radiation source: SynchrotronAbsorption correction: for a cylinder mounted on the ϕ axis
?
Si(1,1,1) monochromatorTmin = ?, Tmax = ?
Specimen mounting: Lindemann Glass Capillary2θmin = 1.500°, 2θmax = 28.000°, 2θstep = 0.005°
Data collection mode: transmission
Refinement top
Rp = 1.837Profile function: pseudo-Voigt
Rwp = 2.286171 parameters
Rexp = 1.65063 restraints
RBragg = 1.662
χ2 = NOT FOUNDBackground function: linear interpolation between 43 points
6424 data pointsPreferred orientation correction: March-Dollase function, axis [1,0,0], G1=0.994(1), G2=0
Excluded region(s): intensities too low
Crystal data top
C6H14O6V = 2433.30 (3) Å3
Mr = 182.17Z = 12
Orthorhombic, P21212BM01B, ESRF radiation, λ = 0.499570 Å
a = 24.30122 (17) ŵ = 0.13 mm1
b = 20.57261 (14) ÅT = 293 K
c = 4.86719 (3) Åcylinder, diameter 1.5 mm, ? × ? × ? mm
Data collection top
BM01B, ESRF
diffractometer
Absorption correction: for a cylinder mounted on the ϕ axis
?
Specimen mounting: Lindemann Glass CapillaryTmin = ?, Tmax = ?
Data collection mode: transmission2θmin = 1.500°, 2θmax = 28.000°, 2θstep = 0.005°
Scan method: step
Refinement top
Rp = 1.837χ2 = NOT FOUND
Rwp = 2.2866424 data points
Rexp = 1.650171 parameters
RBragg = 1.66263 restraints
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
C110.36472 (15)0.51245 (19)0.6125 (10)0.0326 (5)*
C120.41877 (13)0.50350 (11)0.4570 (7)0.0326 (5)*
C130.41601 (15)0.44029 (12)0.2907 (6)0.0326 (5)*
C140.42261 (14)0.38001 (11)0.4713 (7)0.0326 (5)*
C150.41697 (16)0.31586 (11)0.3152 (7)0.0326 (5)*
C160.42283 (19)0.2534 (2)0.4798 (10)0.0326 (5)*
O110.36953 (15)0.56981 (15)0.7773 (7)0.0326 (5)*
O120.42365 (16)0.55813 (15)0.2784 (7)0.0326 (5)*
O130.46221 (13)0.44282 (18)0.1099 (8)0.0326 (5)*
O140.47456 (11)0.37937 (18)0.6094 (8)0.0326 (5)*
O150.37078 (13)0.31704 (18)0.1344 (7)0.0326 (5)*
O160.37906 (13)0.25555 (19)0.6723 (7)0.0326 (5)*
H11A0.333600.516600.480900.0326 (5)*
H11B0.358000.473600.733800.0326 (5)*
H120.450500.502100.588100.0326 (5)*
H130.380900.438100.183800.0326 (5)*
H140.393100.381300.614500.0326 (5)*
H150.449400.315400.188700.0326 (5)*
H16A0.419500.214600.358300.0326 (5)*
H16B0.459200.252100.576300.0326 (5)*
HO110.333790.587470.750490.0326 (5)*
HO120.453490.561250.270030.0326 (5)*
HO130.459300.422300.030620.0326 (5)*
HO140.470240.365350.757350.0326 (5)*
HO150.337980.323620.206050.0326 (5)*
HO160.348600.262710.604950.0326 (5)*
C210.10186 (15)0.22078 (19)0.3416 (9)0.0339 (6)*
C220.07691 (11)0.27904 (15)0.1977 (7)0.0339 (6)*
C230.11906 (12)0.31472 (16)0.0233 (7)0.0339 (6)*
C240.16296 (11)0.34940 (16)0.1958 (7)0.0339 (6)*
C250.20804 (11)0.37951 (16)0.0202 (7)0.0339 (6)*
C260.25327 (19)0.41219 (17)0.1870 (10)0.0339 (6)*
O210.06459 (13)0.19346 (18)0.5354 (7)0.0339 (6)*
O220.03162 (13)0.25723 (19)0.0365 (7)0.0339 (6)*
O230.09113 (15)0.36106 (15)0.1473 (7)0.0339 (6)*
O240.13952 (14)0.40146 (15)0.3502 (7)0.0339 (6)*
O250.23291 (16)0.32992 (16)0.1452 (8)0.0339 (6)*
O260.27807 (15)0.36617 (14)0.3701 (8)0.0339 (6)*
H21A0.112200.187400.203300.0339 (6)*
H21B0.136000.235200.442100.0339 (6)*
H220.062700.309800.340400.0339 (6)*
H230.137800.282400.098100.0339 (6)*
H240.179900.317400.325400.0339 (6)*
H250.191100.412600.104300.0339 (6)*
H26A0.281800.430100.060200.0339 (6)*
H26B0.237100.448800.296400.0339 (6)*
HO210.063850.154320.552500.0339 (6)*
HO220.047550.238400.140540.0339 (6)*
HO230.106690.355950.288320.0339 (6)*
HO240.131480.410600.500220.0339 (6)*
HO250.215360.329800.268750.0339 (6)*
HO260.284230.386380.508520.0339 (6)*
C310.4478 (2)0.10689 (15)0.9420 (12)0.0521 (6)*
C320.41397 (10)0.05197 (16)0.8158 (7)0.0521 (6)*
C330.36336 (11)0.07649 (19)0.6578 (7)0.0521 (6)*
C340.31614 (11)0.10469 (16)0.8290 (7)0.0521 (6)*
C350.26915 (11)0.13216 (16)0.6570 (7)0.0521 (6)*
C360.22303 (14)0.1562 (2)0.8399 (9)0.0521 (6)*
O310.48932 (15)0.0791 (2)1.1122 (8)0.0521 (6)*
O320.45244 (14)0.0260 (2)0.6236 (7)0.0521 (6)*
O330.34700 (17)0.02917 (17)0.4592 (7)0.0521 (6)*
O340.29366 (15)0.05072 (15)0.9758 (9)0.0521 (6)*
O350.29054 (15)0.18453 (16)0.5000 (9)0.0521 (6)*
O360.24119 (16)0.20219 (16)1.0400 (8)0.0521 (6)*
H31A0.465100.133400.793400.0521 (6)*
H31B0.423300.135601.054900.0521 (6)*
H320.403500.018900.957100.0521 (6)*
H330.377200.114000.547200.0521 (6)*
H340.330200.138300.959900.0521 (6)*
H350.254900.097700.531000.0521 (6)*
H36A0.194300.177200.722100.0521 (6)*
H36B0.206400.118200.936800.0521 (6)*
HO310.521510.072091.035660.0521 (6)*
HO320.434490.004340.439250.0521 (6)*
HO330.323320.005290.520580.0521 (6)*
HO340.302250.057331.118870.0521 (6)*
HO350.319530.175970.447360.0521 (6)*
HO360.239090.238500.959560.0521 (6)*
Geometric parameters (Å, º) top
C11—O111.432 (5)C25—O251.433 (5)
C11—C121.527 (5)C25—C261.523 (5)
C11—H11A0.995C25—H251.000
C11—H11B1.007C26—O261.433 (5)
C12—O121.426 (4)C26—H26A0.999
C12—C131.533 (4)C26—H26B1.002
C12—H121.001O21—HO210.810
C13—O131.427 (5)O22—HO221.021
C13—C141.528 (4)O23—HO230.791
C13—H131.000O24—HO240.779
C14—O141.430 (4)O25—HO250.737
C14—C151.529 (4)O26—HO260.806
C14—H141.001C31—O311.425 (6)
C15—O151.426 (5)C31—C321.526 (5)
C15—C161.520 (5)C31—H31A0.999
C15—H151.000C31—H31B1.002
C16—O161.418 (6)C32—O321.426 (4)
C16—H16A0.998C32—C331.536 (4)
C16—H16B1.002C32—H321.000
O11—HO110.951C33—O331.428 (5)
O12—HO120.729C33—C341.532 (4)
O13—HO130.807C33—H330.999
O14—HO140.783C34—O341.429 (5)
O15—HO150.880C34—C351.524 (4)
O16—HO160.823C34—H341.000
C21—O211.424 (5)C35—O351.420 (5)
C21—C221.515 (5)C35—C361.514 (5)
C21—H21A0.994C35—H350.999
C21—H21B1.007C36—O361.428 (6)
C22—O221.424 (4)C36—H36A1.001
C22—C231.520 (4)C36—H36B0.999
C22—H221.001O31—HO310.878
C23—O231.435 (5)O32—HO321.093
C23—C241.534 (4)O33—HO330.814
C23—H230.999O34—HO340.739
C24—O241.427 (4)O35—HO350.770
C24—C251.521 (4)O36—HO360.845
C24—H241.000
O11—C11—C12107.9 (3)O24—C24—H24109.0
O11—C11—H11A110.6C25—C24—H24109.0
C12—C11—H11A110.2C23—C24—H24109.0
O11—C11—H11B109.8O25—C25—C24109.2 (3)
C12—C11—H11B109.5O25—C25—C26108.0 (3)
H11A—C11—H11B108.8C24—C25—C26113.6 (3)
O12—C12—C11106.2 (3)O25—C25—H25108.5
O12—C12—C13110.5 (2)C24—C25—H25108.7
C11—C12—C13109.0 (3)C26—C25—H25108.6
O12—C12—H12110.3O26—C26—C25110.1 (4)
C11—C12—H12110.5O26—C26—H26A109.6
C13—C12—H12110.2C25—C26—H26A109.5
O13—C13—C14107.5 (3)O26—C26—H26B109.3
O13—C13—C12105.1 (3)C25—C26—H26B109.4
C14—C13—C12112.3 (2)H26A—C26—H26B108.9
O13—C13—H13110.6C21—O21—HO21118.4
C14—C13—H13110.6C22—O22—HO22107.0
C12—C13—H13110.5C23—O23—HO23100.8
O14—C14—C13111.7 (3)C24—O24—HO24140.8
O14—C14—C15107.7 (3)C25—O25—HO25102.5
C13—C14—C15113.9 (2)C26—O26—HO26104.9
O14—C14—H14107.8O31—C31—C32108.6 (4)
C13—C14—H14107.7O31—C31—H31A110.0
C15—C14—H14107.7C32—C31—H31A109.8
O15—C15—C16114.4 (3)O31—C31—H31B109.7
O15—C15—C14111.2 (3)C32—C31—H31B109.7
C16—C15—C14117.3 (2)H31A—C31—H31B109.0
O15—C15—H15103.9O32—C32—C31100.9 (3)
C16—C15—H15104.0O32—C32—C33108.6 (2)
C14—C15—H15104.1C31—C32—C33112.9 (3)
O16—C16—C15104.6 (3)O32—C32—H32111.3
O16—C16—H16A110.8C31—C32—H32111.3
C15—C16—H16A110.9C33—C32—H32111.3
O16—C16—H16B110.7O33—C33—C34114.7 (3)
C15—C16—H16B110.7O33—C33—C32109.7 (3)
H16A—C16—H16B109.1C34—C33—C32116.9 (2)
C11—O11—HO1199.4O33—C33—H33104.8
C12—O12—HO12100.7C34—C33—H33104.6
C13—O13—HO13115.8C32—C33—H33104.7
C14—O14—HO14108.5O34—C34—C35106.0 (3)
C15—O15—HO15118.1O34—C34—C33105.3 (3)
C16—O16—HO16114.6C35—C34—C33113.7 (2)
O21—C21—C22111.3 (4)O34—C34—H34110.4
O21—C21—H21A109.6C35—C34—H34110.4
C22—C21—H21A109.5C33—C34—H34110.6
O21—C21—H21B108.6O35—C35—C36109.8 (3)
C22—C21—H21B108.8O35—C35—C34107.6 (3)
H21A—C21—H21B108.9C36—C35—C34110.7 (2)
O22—C22—C21108.4 (3)O35—C35—H35109.6
O22—C22—C23111.4 (2)C36—C35—H35109.6
C21—C22—C23111.8 (3)C34—C35—H35109.5
O22—C22—H22108.3O36—C36—C35112.9 (4)
C21—C22—H22108.5O36—C36—H36A108.7
C23—C22—H22108.4C35—C36—H36A108.7
O23—C23—C22109.0 (3)O36—C36—H36B108.8
O23—C23—C24109.7 (3)C35—C36—H36B108.7
C22—C23—C24112.8 (2)H36A—C36—H36B109.0
O23—C23—H23108.4C31—O31—HO31116.8
C22—C23—H23108.4C32—O32—HO32115.4
C24—C23—H23108.4C33—O33—HO33111.1
O24—C24—C25106.1 (3)C34—O34—HO34102.7
O24—C24—C23111.1 (3)C35—O35—HO35109.9
C25—C24—C23112.5 (2)C36—O36—HO36104.5
O11—C11—C12—O1264.0 (4)O23—C23—C24—C2563.8 (3)
O11—C11—C12—C13176.9 (3)C22—C23—C24—C25174.5 (2)
O12—C12—C13—O1351.7 (3)O24—C24—C25—O25179.0 (3)
C11—C12—C13—O13168.0 (3)C23—C24—C25—O2557.3 (3)
O12—C12—C13—C14168.3 (3)O24—C24—C25—C2660.4 (4)
C11—C12—C13—C1475.4 (3)C23—C24—C25—C26177.9 (3)
O13—C13—C14—O1454.4 (3)O25—C25—C26—O2663.1 (4)
C12—C13—C14—O1460.8 (3)C24—C25—C26—O2658.3 (4)
O13—C13—C14—C1568.0 (3)O31—C31—C32—O3271.7 (4)
C12—C13—C14—C15176.9 (3)O31—C31—C32—C33172.6 (3)
O14—C14—C15—O15170.0 (3)O32—C32—C33—O3345.5 (4)
C13—C14—C15—O1545.4 (4)C31—C32—C33—O33156.6 (3)
O14—C14—C15—C1655.6 (4)O32—C32—C33—C34178.4 (3)
C13—C14—C15—C16179.8 (3)C31—C32—C33—C3470.6 (4)
O15—C15—C16—O1671.0 (4)O33—C33—C34—O3462.3 (4)
C14—C15—C16—O1662.0 (4)C32—C33—C34—O3468.3 (3)
O21—C21—C22—O2265.5 (4)O33—C33—C34—C3553.4 (4)
O21—C21—C22—C23171.3 (3)C32—C33—C34—C35176.1 (3)
O22—C22—C23—O2347.6 (4)O34—C34—C35—O35177.9 (3)
C21—C22—C23—O23169.0 (3)C33—C34—C35—O3562.6 (3)
O22—C22—C23—C24169.7 (3)O34—C34—C35—C3662.1 (4)
C21—C22—C23—C2469.0 (3)C33—C34—C35—C36177.4 (3)
O23—C23—C24—O2455.0 (3)O35—C35—C36—O3663.9 (4)
C22—C23—C24—O2466.7 (3)C34—C35—C36—O3654.7 (4)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O12—HO12···O13i0.729 (4)2.193 (3)2.892 (5)161.0 (3)
O13—HO13···O14ii0.807 (4)1.997 (4)2.780 (5)163.5 (3)
O15—HO15···O260.880 (3)1.877 (3)2.723 (5)160.4 (2)
O21—HO21···O12iii0.810 (4)2.165 (3)2.942 (5)160.9 (3)
O22—HO22···O21ii1.021 (3)1.875 (4)2.883 (5)168.8 (2)
O24—HO24···O23iv0.779 (3)2.224 (3)2.838 (5)136.3 (3)
O26—HO26···O25iv0.806 (3)2.397 (4)2.707 (5)104.0 (3)
O33—HO33···O24iii0.814 (4)2.403 (3)2.805 (4)111.5 (2)
O34—HO34···O33iv0.739 (4)2.065 (4)2.722 (5)148.5 (3)
O35—HO35···O160.770 (4)2.444 (3)2.732 (5)103.8 (3)
Symmetry codes: (i) x+1, y+1, z; (ii) x, y, z1; (iii) x+1/2, y1/2, z+1; (iv) x, y, z+1.

Experimental details

Crystal data
Chemical formulaC6H14O6
Mr182.17
Crystal system, space groupOrthorhombic, P21212
Temperature (K)293
a, b, c (Å)24.30122 (17), 20.57261 (14), 4.86719 (3)
V3)2433.30 (3)
Z12
Radiation typeBM01B, ESRF, λ = 0.499570 Å
µ (mm1)0.13
Specimen shape, size (mm)Cylinder, diameter 1.5 mm, ? × ? × ?
Data collection
Data collection methodBM01B, ESRF
Specimen mountingLindemann Glass Capillary
Data collection modeTransmission
Scan methodStep
2θ values (°)2θmin = 1.500 2θmax = 28.000 2θstep = 0.005
Refinement
R factors and goodness of fitRp = 1.837, Rwp = 2.286, Rexp = 1.650, RBragg = 1.662, χ2 = NOT FOUND
No. of data points6424
No. of parameters171
No. of restraints63

Computer programs: PEAKOC, FOX, FULLPROF, ORTEP-3, SHELX97 and PARST.

Selected geometric parameters (Å, º) top
C11—O111.432 (5)C24—O241.427 (4)
C11—C121.527 (5)C24—C251.521 (4)
C12—O121.426 (4)C25—O251.433 (5)
C12—C131.533 (4)C25—C261.523 (5)
C13—O131.427 (5)C26—O261.433 (5)
C13—C141.528 (4)C31—O311.425 (6)
C14—O141.430 (4)C31—C321.526 (5)
C14—C151.529 (4)C32—O321.426 (4)
C15—O151.426 (5)C32—C331.536 (4)
C15—C161.520 (5)C33—O331.428 (5)
C16—O161.418 (6)C33—C341.532 (4)
C21—O211.424 (5)C34—O341.429 (5)
C21—C221.515 (5)C34—C351.524 (4)
C22—O221.424 (4)C35—O351.420 (5)
C22—C231.520 (4)C35—C361.514 (5)
C23—O231.435 (5)C36—O361.428 (6)
C23—C241.534 (4)
O11—C11—C12107.9 (3)O24—C24—C25106.1 (3)
O12—C12—C11106.2 (3)O24—C24—C23111.1 (3)
O12—C12—C13110.5 (2)C25—C24—C23112.5 (2)
C11—C12—C13109.0 (3)O25—C25—C24109.2 (3)
O13—C13—C14107.5 (3)O25—C25—C26108.0 (3)
O13—C13—C12105.1 (3)C24—C25—C26113.6 (3)
C14—C13—C12112.3 (2)O26—C26—C25110.1 (4)
O14—C14—C13111.7 (3)O31—C31—C32108.6 (4)
O14—C14—C15107.7 (3)O32—C32—C31100.9 (3)
C13—C14—C15113.9 (2)O32—C32—C33108.6 (2)
O15—C15—C16114.4 (3)C31—C32—C33112.9 (3)
O15—C15—C14111.2 (3)O33—C33—C34114.7 (3)
C16—C15—C14117.3 (2)O33—C33—C32109.7 (3)
O16—C16—C15104.6 (3)C34—C33—C32116.9 (2)
O21—C21—C22111.3 (4)O34—C34—C35106.0 (3)
O22—C22—C21108.4 (3)O34—C34—C33105.3 (3)
O22—C22—C23111.4 (2)C35—C34—C33113.7 (2)
C21—C22—C23111.8 (3)O35—C35—C36109.8 (3)
O23—C23—C22109.0 (3)O35—C35—C34107.6 (3)
O23—C23—C24109.7 (3)C36—C35—C34110.7 (2)
C22—C23—C24112.8 (2)O36—C36—C35112.9 (4)
O11—C11—C12—O1264.0 (4)O23—C23—C24—C2563.8 (3)
O11—C11—C12—C13176.9 (3)C22—C23—C24—C25174.5 (2)
O12—C12—C13—O1351.7 (3)O24—C24—C25—O25179.0 (3)
C11—C12—C13—O13168.0 (3)C23—C24—C25—O2557.3 (3)
O12—C12—C13—C14168.3 (3)O24—C24—C25—C2660.4 (4)
C11—C12—C13—C1475.4 (3)C23—C24—C25—C26177.9 (3)
O13—C13—C14—O1454.4 (3)O25—C25—C26—O2663.1 (4)
C12—C13—C14—O1460.8 (3)C24—C25—C26—O2658.3 (4)
O13—C13—C14—C1568.0 (3)O31—C31—C32—O3271.7 (4)
C12—C13—C14—C15176.9 (3)O31—C31—C32—C33172.6 (3)
O14—C14—C15—O15170.0 (3)O32—C32—C33—O3345.5 (4)
C13—C14—C15—O1545.4 (4)C31—C32—C33—O33156.6 (3)
O14—C14—C15—C1655.6 (4)O32—C32—C33—C34178.4 (3)
C13—C14—C15—C16179.8 (3)C31—C32—C33—C3470.6 (4)
O15—C15—C16—O1671.0 (4)O33—C33—C34—O3462.3 (4)
C14—C15—C16—O1662.0 (4)C32—C33—C34—O3468.3 (3)
O21—C21—C22—O2265.5 (4)O33—C33—C34—C3553.4 (4)
O21—C21—C22—C23171.3 (3)C32—C33—C34—C35176.1 (3)
O22—C22—C23—O2347.6 (4)O34—C34—C35—O35177.9 (3)
C21—C22—C23—O23169.0 (3)C33—C34—C35—O3562.6 (3)
O22—C22—C23—C24169.7 (3)O34—C34—C35—C3662.1 (4)
C21—C22—C23—C2469.0 (3)C33—C34—C35—C36177.4 (3)
O23—C23—C24—O2455.0 (3)O35—C35—C36—O3663.9 (4)
C22—C23—C24—O2466.7 (3)C34—C35—C36—O3654.7 (4)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O12—HO12···O13i0.729 (4)2.193 (3)2.892 (5)161.0 (3)
O13—HO13···O14ii0.807 (4)1.997 (4)2.780 (5)163.5 (3)
O15—HO15···O260.880 (3)1.877 (3)2.723 (5)160.4 (2)
O21—HO21···O12iii0.810 (4)2.165 (3)2.942 (5)160.9 (3)
O22—HO22···O21ii1.021 (3)1.875 (4)2.883 (5)168.8 (2)
O24—HO24···O23iv0.779 (3)2.224 (3)2.838 (5)136.3 (3)
O26—HO26···O25iv0.806 (3)2.397 (4)2.707 (5)104.0 (3)
O33—HO33···O24iii0.814 (4)2.403 (3)2.805 (4)111.5 (2)
O34—HO34···O33iv0.739 (4)2.065 (4)2.722 (5)148.5 (3)
O35—HO35···O160.770 (4)2.444 (3)2.732 (5)103.8 (3)
Symmetry codes: (i) x+1, y+1, z; (ii) x, y, z1; (iii) x+1/2, y1/2, z+1; (iv) x, y, z+1.
 

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