In the structure of the centrosymmetric title compound, C30H66O6Si6·2CH3OH, OSiMe3 groups are located above and below the plane defined by the central benzene ring in an alternating fashion.
Supporting information
CCDC reference: 647325
Key indicators
- Single-crystal X-ray study
- T = 173 K
- Mean (C-C) = 0.004 Å
- Disorder in main residue
- R factor = 0.057
- wR factor = 0.213
- Data-to-parameter ratio = 22.4
checkCIF/PLATON results
No syntax errors found
Alert level B
PLAT415_ALERT_2_B Short Inter D-H..H-X H4 .. H15C .. 2.04 Ang.
Alert level C
DIFMN02_ALERT_2_C The minimum difference density is < -0.1*ZMAX*0.75
_refine_diff_density_min given = -1.062
Test value = -1.050
DIFMN03_ALERT_1_C The minimum difference density is < -0.1*ZMAX*0.75
The relevant atom site should be identified.
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT098_ALERT_2_C Minimum (Negative) Residual Density ............ -1.06 e/A
PLAT202_ALERT_3_C Isotropic non-H Atoms in Anion/Solvent ......... 2
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.19 Ratio
PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.11 Ratio
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Si1
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Si2
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Si3
PLAT301_ALERT_3_C Main Residue Disorder ......................... 8.00 Perc.
PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 50.00 Perc.
PLAT410_ALERT_2_C Short Intra H...H Contact H4'2 .. H5B .. 1.98 Ang.
PLAT415_ALERT_2_C Short Inter D-H..H-X H7A .. H4' .. 2.13 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H4' .. O1' .. 2.73 Ang.
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 2
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 19.60 Deg.
O1 -SI1 -O1' 1.555 1.555 1.555
Alert level G
FORMU01_ALERT_1_G There is a discrepancy between the atom counts in the
_chemical_formula_sum and _chemical_formula_moiety. This is
usually due to the moiety formula being in the wrong format.
Atom count from _chemical_formula_sum: C32 H74 O8 Si6
Atom count from _chemical_formula_moiety:C32 H74 O10 Si6
REFLT03_ALERT_1_G ALERT: Expected hkl max differ from CIF values
From the CIF: _diffrn_reflns_theta_max 31.92
From the CIF: _reflns_number_total 5117
From the CIF: _diffrn_reflns_limit_ max hkl 12. 13. 15.
From the CIF: _diffrn_reflns_limit_ min hkl -13. -7. -16.
TEST1: Expected hkl limits for theta max
Calculated maximum hkl 14. 15. 18.
Calculated minimum hkl -14. -15. -18.
0 ALERT level A = In general: serious problem
1 ALERT level B = Potentially serious problem
17 ALERT level C = Check and explain
2 ALERT level G = General alerts; check
4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
10 ALERT type 2 Indicator that the structure model may be wrong or deficient
3 ALERT type 3 Indicator that the structure quality may be low
3 ALERT type 4 Improvement, methodology, query or suggestion
0 ALERT type 5 Informative message, check
Data collection: STADI4 (Stoe & Cie, 1995); cell refinement: STADI4; data reduction: STADI4; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL.
Hexakis(trimethylsiloxymethyl)benzene methanol disolvate
top
Crystal data top
C30H66O6Si6·2CH4O | Z = 1 |
Mr = 755.45 | F(000) = 414 |
Triclinic, P1 | Dx = 1.081 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 9.7075 (19) Å | Cell parameters from 2000 reflections |
b = 10.153 (2) Å | θ = 5–50° |
c = 12.227 (2) Å | µ = 0.22 mm−1 |
α = 101.34 (3)° | T = 173 K |
β = 97.61 (4)° | Block, colourless |
γ = 96.04 (3)° | 0.30 × 0.30 × 0.20 mm |
V = 1160.4 (4) Å3 | |
Data collection top
Stoe Stadi-4 diffractometer | 3168 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.039 |
Graphite monochromator | θmax = 31.9°, θmin = 3.6° |
Detector resolution: 6.67 pixels mm-1 | h = −13→12 |
rotation scans | k = −7→13 |
9084 measured reflections | l = −16→15 |
5117 independent reflections | |
Refinement top
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.057 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.213 | H-atom parameters constrained |
S = 1.07 | w = 1/[σ2(Fo2) + (0.1223P)2] where P = (Fo2 + 2Fc2)/3 |
5117 reflections | (Δ/σ)max < 0.001 |
228 parameters | Δρmax = 0.77 e Å−3 |
1 restraint | Δρmin = −1.06 e Å−3 |
Special details top
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F2, conventional
R-factors R are based on F, with F set to zero for
negative F2. The threshold expression of F2 >
σ(F2) is used only for calculating R-factors(gt) etc.
and is not relevant to the choice of reflections for refinement.
R-factors based on F2 are statistically about twice as large
as those based on F, and R- factors based on ALL data will be
even larger. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
Si1 | 0.90880 (9) | 0.31022 (9) | 0.29937 (7) | 0.0341 (3) | |
Si2 | 0.33061 (10) | 0.27694 (9) | 0.06752 (7) | 0.0356 (3) | |
Si3 | 0.26566 (10) | 0.86762 (9) | 0.31390 (8) | 0.0360 (3) | |
C1 | 0.5779 (3) | 0.4086 (3) | 0.4422 (2) | 0.0239 (6) | |
C2 | 0.4839 (3) | 0.4733 (3) | 0.3816 (2) | 0.0235 (6) | |
C3 | 0.4052 (3) | 0.5642 (3) | 0.4391 (2) | 0.0229 (6) | |
C5 | 0.4705 (3) | 0.4483 (3) | 0.2546 (2) | 0.0292 (6) | |
H5A | 0.4472 | 0.5308 | 0.2285 | 0.035* | |
H5B | 0.5608 | 0.4270 | 0.2309 | 0.035* | |
C6 | 0.2986 (3) | 0.6286 (3) | 0.3736 (3) | 0.0305 (7) | |
H6A | 0.2648 | 0.5693 | 0.2982 | 0.037* | |
H6B | 0.2172 | 0.6399 | 0.4138 | 0.037* | |
C7 | 0.9483 (5) | 0.4172 (5) | 0.1970 (4) | 0.0708 (13) | |
H7A | 0.9566 | 0.5131 | 0.2339 | 0.106* | |
H7B | 0.8723 | 0.3966 | 0.1323 | 0.106* | |
H7C | 1.0367 | 0.3980 | 0.1707 | 0.106* | |
C8 | 0.8447 (4) | 0.1313 (4) | 0.2281 (4) | 0.0588 (11) | |
H8A | 0.8145 | 0.0811 | 0.2834 | 0.088* | |
H8B | 0.9204 | 0.0901 | 0.1945 | 0.088* | |
H8C | 0.7653 | 0.1283 | 0.1686 | 0.088* | |
C9 | 1.0670 (4) | 0.3188 (4) | 0.4023 (3) | 0.0512 (9) | |
H9A | 1.0507 | 0.2527 | 0.4494 | 0.077* | |
H9B | 1.0889 | 0.4102 | 0.4502 | 0.077* | |
H9C | 1.1457 | 0.2981 | 0.3623 | 0.077* | |
C10 | 0.2869 (6) | 0.4140 (5) | −0.0054 (3) | 0.0690 (13) | |
H10A | 0.3616 | 0.4912 | 0.0190 | 0.104* | |
H10B | 0.1981 | 0.4426 | 0.0134 | 0.104* | |
H10C | 0.2778 | 0.3806 | −0.0872 | 0.104* | |
C11 | 0.4854 (5) | 0.2047 (4) | 0.0192 (3) | 0.0610 (11) | |
H11A | 0.5668 | 0.2754 | 0.0379 | 0.092* | |
H11B | 0.4659 | 0.1700 | −0.0628 | 0.092* | |
H11C | 0.5053 | 0.1305 | 0.0569 | 0.092* | |
C12 | 0.1787 (5) | 0.1428 (4) | 0.0464 (3) | 0.0616 (11) | |
H12A | 0.0982 | 0.1832 | 0.0723 | 0.092* | |
H12B | 0.2028 | 0.0747 | 0.0897 | 0.092* | |
H12C | 0.1548 | 0.0998 | −0.0340 | 0.092* | |
C13 | 0.1785 (5) | 0.7904 (4) | 0.1665 (3) | 0.0676 (13) | |
H13A | 0.2496 | 0.7628 | 0.1199 | 0.101* | |
H13B | 0.1282 | 0.8569 | 0.1354 | 0.101* | |
H13C | 0.1121 | 0.7108 | 0.1667 | 0.101* | |
C14 | 0.1326 (5) | 0.9085 (5) | 0.4081 (4) | 0.0730 (14) | |
H14A | 0.1799 | 0.9406 | 0.4863 | 0.109* | |
H14B | 0.0662 | 0.8269 | 0.4028 | 0.109* | |
H14C | 0.0819 | 0.9794 | 0.3847 | 0.109* | |
C15 | 0.3936 (4) | 1.0176 (4) | 0.3196 (4) | 0.0581 (11) | |
H15A | 0.4401 | 1.0530 | 0.3977 | 0.087* | |
H15B | 0.3449 | 1.0877 | 0.2926 | 0.087* | |
H15C | 0.4638 | 0.9919 | 0.2716 | 0.087* | |
O1 | 0.7812 (12) | 0.3839 (10) | 0.3462 (7) | 0.0328 (18) | 0.50 |
C4 | 0.6588 (3) | 0.3062 (3) | 0.3804 (3) | 0.0301 (6) | 0.50 |
H4A | 0.6927 | 0.2466 | 0.4303 | 0.036* | 0.50 |
H4B | 0.5979 | 0.2491 | 0.3128 | 0.036* | 0.50 |
O1' | 0.7948 (12) | 0.3646 (11) | 0.3863 (7) | 0.042 (2) | 0.50 |
C4' | 0.6588 (3) | 0.3062 (3) | 0.3804 (3) | 0.0301 (6) | 0.50 |
H4'1 | 0.6580 | 0.2259 | 0.4151 | 0.036* | 0.50 |
H4'2 | 0.6142 | 0.2760 | 0.3004 | 0.036* | 0.50 |
O2 | 0.3628 (2) | 0.3377 (2) | 0.20517 (15) | 0.0328 (5) | |
O3 | 0.3611 (2) | 0.7584 (2) | 0.36112 (18) | 0.0351 (5) | |
O4 | 0.6205 (5) | 0.7826 (5) | 0.2746 (4) | 0.0869 (14)* | 0.75 |
H4 | 0.5935 | 0.8544 | 0.3062 | 0.130* | 0.75 |
C16 | 0.7329 (9) | 0.7585 (8) | 0.3389 (7) | 0.064 (2)* | 0.75 |
H16A | 0.8180 | 0.7947 | 0.3137 | 0.096* | 0.75 |
H16B | 0.7305 | 0.6606 | 0.3326 | 0.096* | 0.75 |
H16C | 0.7329 | 0.8026 | 0.4178 | 0.096* | 0.75 |
O4' | 0.7951 (13) | 0.6648 (13) | 0.3058 (10) | 0.064 (3)* | 0.25 |
H4' | 0.8378 | 0.6206 | 0.3475 | 0.096* | 0.25 |
C16' | 0.720 (3) | 0.752 (2) | 0.3694 (19) | 0.064 (6)* | 0.25 |
H16D | 0.7309 | 0.7384 | 0.4471 | 0.097* | 0.25 |
H16E | 0.6205 | 0.7331 | 0.3363 | 0.097* | 0.25 |
H16F | 0.7556 | 0.8461 | 0.3696 | 0.097* | 0.25 |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Si1 | 0.0303 (5) | 0.0317 (5) | 0.0390 (5) | 0.0050 (4) | 0.0113 (4) | 0.0001 (4) |
Si2 | 0.0491 (6) | 0.0330 (5) | 0.0214 (4) | 0.0060 (4) | 0.0012 (4) | 0.0006 (3) |
Si3 | 0.0363 (5) | 0.0276 (5) | 0.0470 (5) | 0.0039 (4) | 0.0032 (4) | 0.0172 (4) |
C1 | 0.0245 (14) | 0.0173 (13) | 0.0287 (14) | 0.0007 (11) | 0.0072 (11) | 0.0011 (11) |
C2 | 0.0256 (14) | 0.0206 (13) | 0.0218 (12) | −0.0031 (11) | 0.0032 (10) | 0.0023 (10) |
C3 | 0.0233 (14) | 0.0181 (13) | 0.0257 (13) | −0.0003 (11) | 0.0007 (10) | 0.0047 (11) |
C5 | 0.0379 (17) | 0.0256 (14) | 0.0220 (13) | −0.0020 (13) | 0.0055 (11) | 0.0026 (11) |
C6 | 0.0307 (16) | 0.0220 (14) | 0.0377 (16) | 0.0001 (12) | −0.0012 (12) | 0.0100 (12) |
C7 | 0.083 (3) | 0.074 (3) | 0.065 (3) | 0.021 (3) | 0.008 (2) | 0.033 (2) |
C8 | 0.052 (2) | 0.045 (2) | 0.068 (3) | 0.0072 (18) | 0.016 (2) | −0.0216 (19) |
C9 | 0.051 (2) | 0.049 (2) | 0.054 (2) | 0.0052 (18) | 0.0004 (17) | 0.0176 (18) |
C10 | 0.104 (4) | 0.067 (3) | 0.041 (2) | 0.024 (3) | 0.002 (2) | 0.023 (2) |
C11 | 0.069 (3) | 0.061 (3) | 0.052 (2) | 0.018 (2) | 0.017 (2) | −0.003 (2) |
C12 | 0.066 (3) | 0.054 (2) | 0.047 (2) | −0.010 (2) | −0.0062 (19) | −0.0154 (18) |
C13 | 0.085 (3) | 0.053 (2) | 0.059 (2) | −0.004 (2) | −0.016 (2) | 0.023 (2) |
C14 | 0.066 (3) | 0.059 (3) | 0.111 (4) | 0.029 (2) | 0.040 (3) | 0.030 (3) |
C15 | 0.060 (3) | 0.039 (2) | 0.077 (3) | −0.0061 (19) | 0.002 (2) | 0.026 (2) |
O1 | 0.035 (3) | 0.020 (3) | 0.047 (5) | −0.003 (2) | 0.028 (4) | 0.005 (3) |
C4 | 0.0291 (16) | 0.0213 (14) | 0.0383 (16) | 0.0022 (12) | 0.0111 (12) | −0.0010 (12) |
O1' | 0.038 (4) | 0.034 (5) | 0.051 (5) | −0.008 (3) | 0.030 (4) | −0.008 (4) |
C4' | 0.0291 (16) | 0.0213 (14) | 0.0383 (16) | 0.0022 (12) | 0.0111 (12) | −0.0010 (12) |
O2 | 0.0431 (13) | 0.0298 (11) | 0.0204 (9) | −0.0056 (10) | 0.0015 (8) | 0.0011 (8) |
O3 | 0.0305 (12) | 0.0278 (11) | 0.0490 (13) | 0.0024 (9) | 0.0025 (9) | 0.0166 (10) |
Geometric parameters (Å, º) top
Si1—O1 | 1.624 (11) | C9—H9B | 0.9800 |
Si1—O1' | 1.694 (11) | C9—H9C | 0.9800 |
Si1—C9 | 1.835 (4) | C10—H10A | 0.9800 |
Si1—C8 | 1.855 (4) | C10—H10B | 0.9800 |
Si1—C7 | 1.862 (4) | C10—H10C | 0.9800 |
Si2—O2 | 1.650 (2) | C11—H11A | 0.9800 |
Si2—C10 | 1.850 (4) | C11—H11B | 0.9800 |
Si2—C12 | 1.853 (4) | C11—H11C | 0.9800 |
Si2—C11 | 1.855 (4) | C12—H12A | 0.9800 |
Si3—O3 | 1.658 (2) | C12—H12B | 0.9800 |
Si3—C15 | 1.845 (4) | C12—H12C | 0.9800 |
Si3—C13 | 1.865 (4) | C13—H13A | 0.9800 |
Si3—C14 | 1.867 (4) | C13—H13B | 0.9800 |
C1—C2 | 1.397 (4) | C13—H13C | 0.9800 |
C1—C3i | 1.406 (4) | C14—H14A | 0.9800 |
C1—C4 | 1.513 (4) | C14—H14B | 0.9800 |
C2—C3 | 1.402 (4) | C14—H14C | 0.9800 |
C2—C5 | 1.510 (4) | C15—H15A | 0.9800 |
C3—C1i | 1.406 (4) | C15—H15B | 0.9800 |
C3—C6 | 1.507 (4) | C15—H15C | 0.9800 |
C5—O2 | 1.428 (3) | O1—C4 | 1.507 (10) |
C5—H5A | 0.9900 | C4—H4A | 0.9900 |
C5—H5B | 0.9900 | C4—H4B | 0.9900 |
C6—O3 | 1.436 (3) | O4—C16 | 1.332 (9) |
C6—H6A | 0.9900 | O4—H4 | 0.8400 |
C6—H6B | 0.9900 | C16—H16A | 0.9800 |
C7—H7A | 0.9800 | C16—H16B | 0.9800 |
C7—H7B | 0.9800 | C16—H16C | 0.9800 |
C7—H7C | 0.9800 | O4'—C16' | 1.391 (18) |
C8—H8A | 0.9800 | O4'—H4' | 0.8400 |
C8—H8B | 0.9800 | C16'—H16D | 0.9800 |
C8—H8C | 0.9800 | C16'—H16E | 0.9800 |
C9—H9A | 0.9800 | C16'—H16F | 0.9800 |
| | | |
O1—Si1—O1' | 19.6 (4) | H9A—C9—H9B | 109.5 |
O1—Si1—C9 | 116.5 (3) | Si1—C9—H9C | 109.5 |
O1'—Si1—C9 | 100.7 (4) | H9A—C9—H9C | 109.5 |
O1—Si1—C8 | 110.1 (4) | H9B—C9—H9C | 109.5 |
O1'—Si1—C8 | 108.2 (4) | Si2—C10—H10A | 109.5 |
C9—Si1—C8 | 110.0 (2) | Si2—C10—H10B | 109.5 |
O1—Si1—C7 | 98.4 (3) | H10A—C10—H10B | 109.5 |
O1'—Si1—C7 | 116.0 (3) | Si2—C10—H10C | 109.5 |
C9—Si1—C7 | 109.3 (2) | H10A—C10—H10C | 109.5 |
C8—Si1—C7 | 112.0 (2) | H10B—C10—H10C | 109.5 |
O2—Si2—C10 | 109.40 (16) | Si2—C11—H11A | 109.5 |
O2—Si2—C12 | 104.65 (15) | Si2—C11—H11B | 109.5 |
C10—Si2—C12 | 111.2 (2) | H11A—C11—H11B | 109.5 |
O2—Si2—C11 | 110.01 (17) | Si2—C11—H11C | 109.5 |
C10—Si2—C11 | 110.6 (2) | H11A—C11—H11C | 109.5 |
C12—Si2—C11 | 110.8 (2) | H11B—C11—H11C | 109.5 |
O3—Si3—C15 | 104.43 (16) | Si2—C12—H12A | 109.5 |
O3—Si3—C13 | 108.77 (17) | Si2—C12—H12B | 109.5 |
C15—Si3—C13 | 111.79 (19) | H12A—C12—H12B | 109.5 |
O3—Si3—C14 | 109.25 (17) | Si2—C12—H12C | 109.5 |
C15—Si3—C14 | 111.6 (2) | H12A—C12—H12C | 109.5 |
C13—Si3—C14 | 110.7 (2) | H12B—C12—H12C | 109.5 |
C2—C1—C3i | 120.0 (2) | Si3—C13—H13A | 109.5 |
C2—C1—C4 | 120.2 (2) | Si3—C13—H13B | 109.5 |
C3i—C1—C4 | 119.8 (3) | H13A—C13—H13B | 109.5 |
C1—C2—C3 | 119.9 (2) | Si3—C13—H13C | 109.5 |
C1—C2—C5 | 119.9 (3) | H13A—C13—H13C | 109.5 |
C3—C2—C5 | 120.1 (2) | H13B—C13—H13C | 109.5 |
C2—C3—C1i | 120.0 (2) | Si3—C14—H14A | 109.5 |
C2—C3—C6 | 119.9 (2) | Si3—C14—H14B | 109.5 |
C1i—C3—C6 | 120.0 (3) | H14A—C14—H14B | 109.5 |
O2—C5—C2 | 109.4 (2) | Si3—C14—H14C | 109.5 |
O2—C5—H5A | 109.8 | H14A—C14—H14C | 109.5 |
C2—C5—H5A | 109.8 | H14B—C14—H14C | 109.5 |
O2—C5—H5B | 109.8 | Si3—C15—H15A | 109.5 |
C2—C5—H5B | 109.8 | Si3—C15—H15B | 109.5 |
H5A—C5—H5B | 108.2 | H15A—C15—H15B | 109.5 |
O3—C6—C3 | 109.7 (2) | Si3—C15—H15C | 109.5 |
O3—C6—H6A | 109.7 | H15A—C15—H15C | 109.5 |
C3—C6—H6A | 109.7 | H15B—C15—H15C | 109.5 |
O3—C6—H6B | 109.7 | C4—O1—Si1 | 122.0 (6) |
C3—C6—H6B | 109.7 | O1—C4—C1 | 107.6 (5) |
H6A—C6—H6B | 108.2 | O1—C4—H4A | 110.2 |
Si1—C7—H7A | 109.5 | C1—C4—H4A | 110.2 |
Si1—C7—H7B | 109.5 | O1—C4—H4B | 110.2 |
H7A—C7—H7B | 109.5 | C1—C4—H4B | 110.2 |
Si1—C7—H7C | 109.5 | H4A—C4—H4B | 108.5 |
H7A—C7—H7C | 109.5 | C5—O2—Si2 | 121.41 (17) |
H7B—C7—H7C | 109.5 | C6—O3—Si3 | 121.81 (19) |
Si1—C8—H8A | 109.5 | C16'—O4'—H4' | 109.5 |
Si1—C8—H8B | 109.5 | O4'—C16'—H16D | 109.5 |
H8A—C8—H8B | 109.5 | O4'—C16'—H16E | 109.5 |
Si1—C8—H8C | 109.5 | H16D—C16'—H16E | 109.5 |
H8A—C8—H8C | 109.5 | O4'—C16'—H16F | 109.5 |
H8B—C8—H8C | 109.5 | H16D—C16'—H16F | 109.5 |
Si1—C9—H9A | 109.5 | H16E—C16'—H16F | 109.5 |
Si1—C9—H9B | 109.5 | | |
Symmetry code: (i) −x+1, −y+1, −z+1. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O4′—H4′···O1 | 0.84 | 2.41 | 2.981 (15) | 126 |
O4′—H4′···O1′ | 0.84 | 2.73 | 3.382 (15) | 135 |
O4—H4···O3 | 0.84 | 2.59 | 2.863 (6) | 101 |