5,6-Dihydr­oxy-1,2,3,13-tetra­meth­oxy-6,7-dimethyl-5,6,7,8-tetra­hydro­benzo[3,4]cyclo­octa­[1,2-f][1,3]­benzodioxol-5-yl benzoate sesquihydrate

In the title compound, C₃₀H₃₂O₉·1.5H₂O, the cyclo­octa­diene eight-membered ring adopts a twisted boat–chair conformation. O—H...O hydrogen bonding helps to stabilize the crystal structure.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.006 Å
• R factor = 0.048
• wR factor = 0.131
• Data-to-parameter ratio = 8.8

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT420_ALERT_2_B D-H Without Acceptor       O11    -   H11D   ...          ?

Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.50 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O2
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O3
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          6

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           26.40
           From the CIF: _reflns_number_total               3264
           Count of symmetry unique reflns         3309
           Completeness (_total/calc)             98.64%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured         0
           Fraction of Friedel pairs measured     0.000
           Are heavy atom types Z>Si present         no
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K
PLAT791_ALERT_1_G Confirm the Absolute Configuration of C10    = .          S
PLAT791_ALERT_1_G Confirm the Absolute Configuration of C12    = .          S
PLAT791_ALERT_1_G Confirm the Absolute Configuration of C14    = .          S

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   6 ALERT level C = Check and explain
   6 ALERT level G = General alerts; check

   8 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

---

Computing details

Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1997); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1997); software used to prepare material for publication: SHELXTL.

5,6-Dihydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8- tetrahydrobenzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-5-yl benzoate sesquihydrate

Crystal data

C30H32O9·1.5H2O	Dx = 1.322 Mg m^−3
Mr = 563.58	Melting point = 396–397 K
Orthorhombic, P21212	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2 2ab	Cell parameters from 2000 reflections
a = 12.818 (3) Å	θ = 2.5–20.9°
b = 27.883 (7) Å	µ = 0.10 mm^−1
c = 7.921 (2) Å	T = 293 K
V = 2831.0 (12) Å^3	Block, colorless
Z = 4	0.26 × 0.22 × 0.18 mm
F(000) = 1196

Data collection

Bruker SMART CCD area-detector diffractometer	1932 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.061
Graphite monochromator	θmax = 26.4°, θmin = 1.4°
φ and ω scans	h = −15→10
10679 measured reflections	k = −30→34
3264 independent reflections	l = −9→6

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.048	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.131	H-atom parameters constrained
S = 1.00	w = 1/[σ^2(Fo^2) + (0.0687P)^2] where P = (Fo^2 + 2Fc^2)/3
3264 reflections	(Δ/σ)max < 0.001
372 parameters	Δρmax = 0.37 e Å^−3
0 restraints	Δρmin = −0.17 e Å^−3

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq
O1	0.7769 (2)	0.29767 (10)	0.8216 (5)	0.0600 (9)
O2	0.9909 (2)	0.30733 (12)	0.9952 (5)	0.0805 (11)
O3	1.0743 (2)	0.38085 (13)	1.0143 (5)	0.0803 (11)
O4	0.6717 (2)	0.48386 (9)	0.3849 (4)	0.0577 (8)
H4A	0.6414	0.4916	0.4748	0.087*
O5	0.84712 (18)	0.38219 (9)	0.4463 (4)	0.0431 (7)
O6	0.7891 (2)	0.31418 (11)	0.3247 (5)	0.0647 (10)
O7	0.3755 (2)	0.37195 (12)	0.5131 (4)	0.0610 (9)
O8	0.4060 (2)	0.35828 (12)	0.8470 (4)	0.0648 (10)
O9	0.6062 (2)	0.36216 (10)	0.9820 (4)	0.0495 (7)
O10	0.5789 (4)	0.46870 (18)	0.0698 (7)	0.144 (2)
H10A	0.6099	0.4740	0.1700	0.217*
H10B	0.5878	0.4401	0.0400	0.217*
O11	0.5000	0.5000	0.6165 (8)	0.0939 (18)
H11D	0.4751	0.5241	0.6855	0.141*
C1	0.8321 (3)	0.33897 (15)	0.8501 (6)	0.0462 (11)
C2	0.9283 (3)	0.34284 (15)	0.9231 (6)	0.0498 (11)
C3	1.0857 (4)	0.3303 (2)	1.0375 (8)	0.0778 (17)
H3A	1.1414	0.3183	0.9663	0.093*
H3B	1.1034	0.3235	1.1541	0.093*
C4	0.9787 (3)	0.38658 (16)	0.9349 (6)	0.0503 (11)
C5	0.9365 (3)	0.42813 (16)	0.8748 (6)	0.0478 (11)
H5	0.9728	0.4570	0.8816	0.057*
C6	0.8369 (3)	0.42593 (13)	0.8027 (5)	0.0397 (10)
C7	0.7849 (3)	0.38197 (14)	0.7909 (5)	0.0382 (10)
C8	0.8256 (4)	0.25278 (17)	0.8548 (10)	0.094 (2)
H8A	0.8928	0.2519	0.8014	0.141*
H8B	0.7829	0.2274	0.8109	0.141*
H8C	0.8338	0.2488	0.9744	0.141*
C9	0.7915 (3)	0.47124 (14)	0.7297 (6)	0.0454 (11)
H9A	0.8079	0.4978	0.8043	0.054*
H9B	0.7162	0.4681	0.7253	0.054*
C10	0.8323 (3)	0.48294 (13)	0.5515 (6)	0.0452 (11)
H10	0.9035	0.4703	0.5450	0.054*
C11	0.8406 (4)	0.53749 (15)	0.5310 (7)	0.0638 (13)
H11A	0.8651	0.5449	0.4194	0.096*
H11B	0.8886	0.5500	0.6128	0.096*
H11C	0.7732	0.5517	0.5478	0.096*
C12	0.7711 (3)	0.46040 (14)	0.4038 (6)	0.0443 (11)
C13	0.8305 (4)	0.46841 (18)	0.2369 (6)	0.0668 (14)
H13A	0.7924	0.4540	0.1457	0.100*
H13B	0.8984	0.4540	0.2445	0.100*
H13C	0.8377	0.5022	0.2166	0.100*
C14	0.7469 (3)	0.40555 (14)	0.4157 (6)	0.0432 (10)
H14	0.7240	0.3954	0.3032	0.052*
C15	0.8571 (3)	0.33609 (15)	0.3969 (6)	0.0438 (10)
C16	0.9604 (3)	0.31625 (14)	0.4457 (6)	0.0410 (10)
C17	1.0358 (3)	0.34465 (15)	0.5226 (6)	0.0504 (12)
H17	1.0217	0.3767	0.5453	0.060*
C18	1.1319 (3)	0.32542 (17)	0.5655 (7)	0.0615 (13)
H18	1.1823	0.3446	0.6162	0.074*
C19	1.1527 (4)	0.27801 (18)	0.5331 (8)	0.0705 (15)
H19	1.2172	0.2652	0.5621	0.085*
C20	1.0783 (4)	0.24925 (17)	0.4578 (8)	0.0712 (15)
H20	1.0930	0.2171	0.4371	0.085*
C21	0.9817 (3)	0.26801 (15)	0.4125 (6)	0.0544 (12)
H21	0.9319	0.2487	0.3609	0.065*
C22	0.6627 (3)	0.38998 (12)	0.5383 (6)	0.0383 (10)
C23	0.5612 (3)	0.38681 (13)	0.4713 (6)	0.0417 (10)
H23	0.5515	0.3924	0.3566	0.050*
C24	0.4765 (3)	0.37589 (14)	0.5685 (6)	0.0486 (11)
C25	0.4908 (3)	0.36765 (15)	0.7438 (6)	0.0437 (10)
C26	0.5912 (3)	0.36870 (13)	0.8099 (6)	0.0396 (10)
C27	0.6785 (3)	0.37950 (13)	0.7087 (6)	0.0383 (10)
C28	0.3568 (4)	0.3820 (2)	0.3383 (7)	0.0693 (15)
H28A	0.3810	0.4137	0.3123	0.104*
H28B	0.2833	0.3799	0.3156	0.104*
H28C	0.3934	0.3591	0.2700	0.104*
C29	0.3450 (4)	0.4002 (2)	0.8864 (7)	0.0790 (17)
H29A	0.3849	0.4212	0.9574	0.118*
H29B	0.2825	0.3907	0.9442	0.118*
H29C	0.3270	0.4165	0.7839	0.118*
C30	0.5791 (4)	0.31585 (15)	1.0492 (6)	0.0579 (12)
H30A	0.5052	0.3145	1.0687	0.087*
H30B	0.6154	0.3108	1.1537	0.087*
H30C	0.5985	0.2914	0.9700	0.087*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
O1	0.0452 (17)	0.0390 (17)	0.096 (3)	−0.0011 (14)	−0.0092 (18)	0.0104 (17)
O2	0.0497 (19)	0.073 (2)	0.119 (3)	0.0058 (18)	−0.026 (2)	0.027 (2)
O3	0.0428 (18)	0.085 (3)	0.113 (3)	−0.0058 (17)	−0.029 (2)	0.015 (2)
O4	0.0506 (17)	0.0475 (17)	0.075 (2)	0.0144 (14)	0.0003 (17)	0.0038 (16)
O5	0.0335 (14)	0.0366 (15)	0.0591 (19)	0.0037 (12)	0.0049 (13)	−0.0095 (14)
O6	0.0496 (18)	0.0484 (19)	0.096 (3)	−0.0009 (15)	−0.014 (2)	−0.0157 (18)
O7	0.0317 (16)	0.083 (2)	0.069 (2)	−0.0015 (15)	−0.0046 (15)	0.0008 (19)
O8	0.0409 (18)	0.075 (2)	0.078 (3)	−0.0071 (16)	0.0091 (17)	0.0115 (19)
O9	0.0495 (17)	0.0478 (17)	0.051 (2)	−0.0086 (14)	0.0036 (14)	0.0082 (15)
O10	0.152 (4)	0.148 (4)	0.134 (5)	0.033 (4)	−0.033 (4)	−0.051 (4)
O11	0.101 (4)	0.068 (3)	0.112 (5)	0.035 (3)	0.000	0.000
C1	0.035 (2)	0.044 (3)	0.060 (3)	−0.005 (2)	0.002 (2)	0.002 (2)
C2	0.033 (2)	0.055 (3)	0.062 (3)	0.006 (2)	−0.002 (2)	0.009 (2)
C3	0.045 (3)	0.103 (5)	0.085 (4)	0.005 (3)	−0.012 (3)	0.031 (4)
C4	0.030 (2)	0.065 (3)	0.056 (3)	−0.008 (2)	−0.003 (2)	0.004 (2)
C5	0.041 (2)	0.046 (3)	0.056 (3)	−0.012 (2)	0.001 (2)	−0.006 (2)
C6	0.031 (2)	0.041 (2)	0.047 (2)	−0.0038 (18)	0.006 (2)	0.000 (2)
C7	0.030 (2)	0.040 (2)	0.045 (2)	0.0025 (18)	0.0028 (19)	0.002 (2)
C8	0.077 (4)	0.042 (3)	0.163 (7)	0.003 (3)	−0.026 (4)	0.021 (3)
C9	0.047 (2)	0.034 (2)	0.055 (3)	−0.0031 (19)	0.008 (2)	−0.006 (2)
C10	0.037 (2)	0.037 (2)	0.061 (3)	0.0038 (18)	0.002 (2)	0.006 (2)
C11	0.073 (3)	0.044 (3)	0.075 (4)	−0.004 (2)	−0.003 (3)	0.006 (3)
C12	0.040 (2)	0.038 (2)	0.055 (3)	0.0002 (19)	0.011 (2)	0.000 (2)
C13	0.072 (3)	0.066 (3)	0.063 (4)	−0.004 (3)	0.020 (3)	0.003 (3)
C14	0.036 (2)	0.047 (2)	0.047 (3)	0.0079 (18)	0.0033 (19)	0.000 (2)
C15	0.040 (2)	0.041 (3)	0.050 (3)	−0.006 (2)	0.009 (2)	−0.002 (2)
C16	0.035 (2)	0.037 (2)	0.050 (3)	−0.0003 (18)	0.008 (2)	0.001 (2)
C17	0.040 (2)	0.043 (3)	0.069 (3)	−0.0036 (19)	0.002 (2)	−0.010 (2)
C18	0.047 (3)	0.054 (3)	0.084 (4)	0.002 (2)	−0.004 (3)	−0.009 (3)
C19	0.047 (3)	0.070 (4)	0.095 (4)	0.018 (3)	−0.001 (3)	0.005 (3)
C20	0.062 (3)	0.044 (3)	0.108 (5)	0.007 (2)	0.001 (3)	−0.007 (3)
C21	0.044 (3)	0.042 (3)	0.077 (3)	0.000 (2)	0.003 (3)	−0.002 (2)
C22	0.035 (2)	0.028 (2)	0.051 (3)	0.0032 (17)	0.001 (2)	−0.0027 (18)
C23	0.036 (2)	0.038 (2)	0.051 (3)	−0.0003 (18)	−0.004 (2)	−0.003 (2)
C24	0.031 (2)	0.045 (3)	0.069 (3)	0.0021 (19)	−0.005 (2)	−0.005 (2)
C25	0.030 (2)	0.041 (2)	0.061 (3)	−0.0011 (18)	0.006 (2)	0.002 (2)
C26	0.034 (2)	0.034 (2)	0.050 (3)	0.0004 (18)	0.000 (2)	0.001 (2)
C27	0.033 (2)	0.027 (2)	0.056 (3)	−0.0001 (17)	0.000 (2)	0.0006 (19)
C28	0.047 (3)	0.097 (4)	0.064 (4)	0.008 (3)	−0.007 (2)	−0.019 (3)
C29	0.049 (3)	0.115 (5)	0.073 (4)	0.016 (3)	0.015 (3)	−0.008 (3)
C30	0.056 (3)	0.055 (3)	0.063 (3)	−0.006 (2)	0.008 (3)	0.015 (3)

Geometric parameters (Å, º)

O1—C1	1.370 (5)	C10—H10	0.9800
O1—C8	1.423 (5)	C11—H11A	0.9600
O2—C2	1.397 (5)	C11—H11B	0.9600
O2—C3	1.413 (6)	C11—H11C	0.9600
O3—C4	1.388 (5)	C12—C13	1.542 (6)
O3—C3	1.429 (6)	C12—C14	1.563 (6)
O4—C12	1.440 (5)	C13—H13A	0.9600
O4—H4A	0.8389	C13—H13B	0.9600
O5—C15	1.350 (5)	C13—H13C	0.9600
O5—C14	1.461 (4)	C14—C22	1.515 (6)
O6—C15	1.208 (5)	C14—H14	0.9800
O7—C24	1.372 (5)	C15—C16	1.486 (6)
O7—C28	1.433 (6)	C16—C17	1.390 (5)
O8—C25	1.385 (5)	C16—C21	1.397 (6)
O8—C29	1.439 (6)	C17—C18	1.386 (6)
O9—C26	1.389 (5)	C17—H17	0.9300
O9—C30	1.439 (5)	C18—C19	1.373 (6)
O10—H10A	0.8994	C18—H18	0.9300
O10—H10B	0.8387	C19—C20	1.381 (7)
O11—H11D	0.9232	C19—H19	0.9300
C1—C2	1.366 (6)	C20—C21	1.392 (6)
C1—C7	1.422 (6)	C20—H20	0.9300
C2—C4	1.383 (6)	C21—H21	0.9300
C3—H3A	0.9700	C22—C27	1.396 (6)
C3—H3B	0.9700	C22—C23	1.407 (5)
C4—C5	1.364 (6)	C23—C24	1.365 (6)
C5—C6	1.400 (6)	C23—H23	0.9300
C5—H5	0.9300	C24—C25	1.419 (6)
C6—C7	1.399 (5)	C25—C26	1.391 (5)
C6—C9	1.506 (5)	C26—C27	1.408 (6)
C7—C27	1.513 (6)	C28—H28A	0.9600
C8—H8A	0.9600	C28—H28B	0.9600
C8—H8B	0.9600	C28—H28C	0.9600
C8—H8C	0.9600	C29—H29A	0.9600
C9—C10	1.540 (6)	C29—H29B	0.9600
C9—H9A	0.9700	C29—H29C	0.9600
C9—H9B	0.9700	C30—H30A	0.9600
C10—C11	1.533 (6)	C30—H30B	0.9600
C10—C12	1.542 (6)	C30—H30C	0.9600
C1—O1—C8	118.9 (3)	C12—C13—H13C	109.5
C2—O2—C3	105.7 (4)	H13A—C13—H13C	109.5
C4—O3—C3	105.2 (3)	H13B—C13—H13C	109.5
C12—O4—H4A	115.9	O5—C14—C22	113.1 (3)
C15—O5—C14	117.4 (3)	O5—C14—C12	105.8 (3)
C24—O7—C28	116.9 (4)	C22—C14—C12	117.4 (3)
C25—O8—C29	113.7 (3)	O5—C14—H14	106.6
C26—O9—C30	116.6 (3)	C22—C14—H14	106.6
H10A—O10—H10B	110.2	C12—C14—H14	106.6
C2—C1—O1	127.0 (4)	O6—C15—O5	123.4 (4)
C2—C1—C7	117.2 (4)	O6—C15—C16	125.3 (4)
O1—C1—C7	115.8 (3)	O5—C15—C16	111.3 (4)
C1—C2—C4	121.3 (4)	C17—C16—C21	119.7 (4)
C1—C2—O2	129.5 (4)	C17—C16—C15	121.4 (3)
C4—C2—O2	109.2 (4)	C21—C16—C15	118.9 (4)
O2—C3—O3	109.2 (4)	C18—C17—C16	120.3 (4)
O2—C3—H3A	109.8	C18—C17—H17	119.8
O3—C3—H3A	109.8	C16—C17—H17	119.8
O2—C3—H3B	109.8	C19—C18—C17	120.0 (4)
O3—C3—H3B	109.8	C19—C18—H18	120.0
H3A—C3—H3B	108.3	C17—C18—H18	120.0
C5—C4—C2	122.7 (4)	C18—C19—C20	120.4 (4)
C5—C4—O3	127.3 (4)	C18—C19—H19	119.8
C2—C4—O3	110.0 (4)	C20—C19—H19	119.8
C4—C5—C6	117.8 (4)	C19—C20—C21	120.5 (4)
C4—C5—H5	121.1	C19—C20—H20	119.8
C6—C5—H5	121.1	C21—C20—H20	119.8
C7—C6—C5	120.0 (4)	C20—C21—C16	119.1 (4)
C7—C6—C9	121.7 (3)	C20—C21—H21	120.4
C5—C6—C9	118.2 (4)	C16—C21—H21	120.4
C6—C7—C1	120.9 (3)	C27—C22—C23	119.0 (4)
C6—C7—C27	119.9 (3)	C27—C22—C14	125.2 (4)
C1—C7—C27	119.1 (3)	C23—C22—C14	115.8 (4)
O1—C8—H8A	109.5	C24—C23—C22	122.4 (4)
O1—C8—H8B	109.5	C24—C23—H23	118.8
H8A—C8—H8B	109.5	C22—C23—H23	118.8
O1—C8—H8C	109.5	C23—C24—O7	126.0 (4)
H8A—C8—H8C	109.5	C23—C24—C25	119.1 (4)
H8B—C8—H8C	109.5	O7—C24—C25	114.9 (4)
C6—C9—C10	113.5 (3)	O8—C25—C26	120.6 (4)
C6—C9—H9A	108.9	O8—C25—C24	120.5 (3)
C10—C9—H9A	108.9	C26—C25—C24	118.9 (4)
C6—C9—H9B	108.9	O9—C26—C25	119.6 (4)
C10—C9—H9B	108.9	O9—C26—C27	118.5 (3)
H9A—C9—H9B	107.7	C25—C26—C27	121.7 (4)
C11—C10—C9	109.3 (4)	C22—C27—C26	118.7 (4)
C11—C10—C12	111.0 (4)	C22—C27—C7	122.5 (4)
C9—C10—C12	115.9 (3)	C26—C27—C7	118.7 (4)
C11—C10—H10	106.7	O7—C28—H28A	109.5
C9—C10—H10	106.7	O7—C28—H28B	109.5
C12—C10—H10	106.7	H28A—C28—H28B	109.5
C10—C11—H11A	109.5	O7—C28—H28C	109.5
C10—C11—H11B	109.5	H28A—C28—H28C	109.5
H11A—C11—H11B	109.5	H28B—C28—H28C	109.5
C10—C11—H11C	109.5	O8—C29—H29A	109.5
H11A—C11—H11C	109.5	O8—C29—H29B	109.5
H11B—C11—H11C	109.5	H29A—C29—H29B	109.5
O4—C12—C13	106.4 (4)	O8—C29—H29C	109.5
O4—C12—C10	110.1 (3)	H29A—C29—H29C	109.5
C13—C12—C10	109.9 (3)	H29B—C29—H29C	109.5
O4—C12—C14	106.0 (3)	O9—C30—H30A	109.5
C13—C12—C14	106.9 (4)	O9—C30—H30B	109.5
C10—C12—C14	117.0 (4)	H30A—C30—H30B	109.5
C12—C13—H13A	109.5	O9—C30—H30C	109.5
C12—C13—H13B	109.5	H30A—C30—H30C	109.5
H13A—C13—H13B	109.5	H30B—C30—H30C	109.5

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O4—H4A···O11	0.84	2.14	2.900 (5)	150
O10—H10A···O4	0.90	1.90	2.797 (6)	178
O10—H10B···O9^i	0.84	2.23	3.071 (6)	175

Symmetry code: (i) x, y, z−1.