(2R,4S,5S)-5-Hy­droxy-4-methyl-3-oxohept-6-en-2-yl benzoate

The title compound, C₁₅H₁₈O₄, which crystallizes with two mol­ecules in the asymmetric unit, was obtained in the course of the total synthesis of curvicollides A–C and fusaequisin A. It features the relative configuration of the Western aldol part of the natural products. In the crystal, mol­ecules are linked by C—H...O hydrogen bonds.

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean [sigma](C-C) = 0.004 Å
• R factor = 0.037
• wR factor = 0.099
• Data-to-parameter ratio = 15.5

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT220_ALERT_2_C Non-Solvent Resd 2   C   Ueq(max)/Ueq(min) Range        3.1 Ratio
PLAT480_ALERT_4_C Long H...A H-Bond Reported H8     ..  O7      ..       2.63 Ang.
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          4 Report

Alert level G
PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms ..............          2 Report
PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size ....       0.98 mm
PLAT791_ALERT_4_G The Model has Chirality at C8      (Chiral SPGR)          R Verify
PLAT791_ALERT_4_G The Model has Chirality at C11     (Chiral SPGR)          S Verify
PLAT791_ALERT_4_G The Model has Chirality at C13     (Chiral SPGR)          S Verify
PLAT791_ALERT_4_G The Model has Chirality at C23     (Chiral SPGR)          R Verify
PLAT791_ALERT_4_G The Model has Chirality at C26     (Chiral SPGR)          S Verify
PLAT791_ALERT_4_G The Model has Chirality at C28     (Chiral SPGR)          S Verify
PLAT910_ALERT_3_G Missing # of FCF Reflection(s) Below Theta(Min).          1 Note
PLAT913_ALERT_3_G Missing # of Very Strong Reflections in FCF ....          1 Note
PLAT933_ALERT_2_G Number of OMIT Records in Embedded .res File ...          1 Note
PLAT978_ALERT_2_G Number C-C Bonds with Positive Residual Density.          2 Info

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   3 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  12 ALERT level G = General information/check it is not something unexpected

   0 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
   3 ALERT type 3 Indicator that the structure quality may be low
   8 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check


checkCIF publication errors

Alert level A
PUBL024_ALERT_1_A The number of authors is greater than 5.
              Please specify the role of each of the co-authors
              for your paper.

   1 ALERT level A = Data missing that is essential or data in wrong format
   0 ALERT level G = General alerts. Data that may be required is missing

---

Computing details

Data collection: SMART (Bruker, 2012); cell refinement: SAINT (Bruker, 2012); data reduction: SAINT (Bruker, 2012); program(s) used to solve structure: SHELXD (Sheldrick, 2008); program(s) used to refine structure: SHELXL2013 (Sheldrick, 2015); molecular graphics: SHELXTL-Plus (Sheldrick, 2008); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008) and PLATON (Spek, 2009).

(2R,4S,5S)-5-Hydroxy-4-methyl-3-oxohept-6-en-2-yl benzoate

Crystal data

C15H18O4	F(000) = 560
Mr = 262.29	Dx = 1.215 Mg m^−3
Monoclinic, P21	Cu Kα radiation, λ = 1.54178 Å
a = 15.6945 (8) Å	Cell parameters from 9866 reflections
b = 4.9102 (2) Å	θ = 3.1–72.5°
c = 20.1737 (10) Å	µ = 0.72 mm^−1
β = 112.712 (2)°	T = 100 K
V = 1434.10 (12) Å^3	Needle, colourless
Z = 4	0.98 × 0.10 × 0.08 mm

Data collection

Bruker D8 VENTURE area detector diffractometer	5396 independent reflections
Radiation source: microfocus sealed X-ray tube	5143 reflections with I > 2σ(I)
Detector resolution: 7.9 pixels mm^-1	Rint = 0.051
ω and φ scans	θmax = 70.0°, θmin = 3.1°
Absorption correction: multi-scan (SADABS; Bruker, 2012)	h = −19→19
Tmin = 0.350, Tmax = 0.470	k = −5→5
22281 measured reflections	l = −24→24

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.037	H-atom parameters constrained
wR(F^2) = 0.099	w = 1/[σ^2(Fo^2) + (0.0606P)^2 + 0.212P] where P = (Fo^2 + 2Fc^2)/3
S = 1.04	(Δ/σ)max < 0.001
5396 reflections	Δρmax = 0.40 e Å^−3
349 parameters	Δρmin = −0.28 e Å^−3
1 restraint	Absolute structure: Flack x determined using 2185 quotients [(I^+)-(I^-)]/[(I^+)+(I^-)] (Parsons et al., 2013)
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.02 (6)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. H-atoms attached to C, except those in CH₃, were placed in calculated positions (C-H = 0.95-1.00Å and U_iso(H) = 1.2 U_eq(C)). CH₃ hydrogen atoms, which were taken from a Fourier map (AFIX 137), were allowed to rotate but not to tip (C-H = 0.98 Å and U_iso(H) = 1.5 U_eq(C)). H-atoms attached to O were placed in calculated positions (O-H = 0.84Å and U_iso(H) = 1.5 U_eq(C)).

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
O6	0.44530 (10)	0.7087 (3)	0.23069 (8)	0.0297 (3)
O2	0.97206 (10)	0.2429 (3)	0.75670 (8)	0.0267 (3)
O4	0.97357 (9)	0.3000 (3)	0.51804 (8)	0.0270 (3)
H4	0.9934	0.1438	0.5149	0.040*
O1	0.82462 (10)	0.1587 (3)	0.74079 (9)	0.0313 (4)
O8	0.53681 (11)	0.7325 (4)	0.02037 (9)	0.0355 (4)
H8	0.5035	0.6201	0.0307	0.053*
O5	0.58656 (11)	0.7084 (4)	0.31915 (9)	0.0384 (4)
O3	0.88168 (14)	0.4843 (3)	0.63246 (9)	0.0388 (4)
O7	0.54639 (18)	0.4739 (4)	0.16545 (13)	0.0567 (6)
C10	0.89931 (14)	0.2484 (4)	0.62747 (11)	0.0247 (4)
C6	0.90938 (15)	0.4881 (4)	0.82787 (11)	0.0252 (4)
C11	0.86074 (14)	0.1032 (4)	0.55512 (11)	0.0223 (4)
H11	0.8946	−0.0721	0.5585	0.027*
C21	0.46950 (15)	0.4252 (4)	0.33115 (12)	0.0256 (4)
C13	0.87508 (13)	0.2880 (4)	0.49904 (11)	0.0226 (4)
H13	0.8529	0.4749	0.5040	0.027*
C5	0.98921 (15)	0.6447 (5)	0.85657 (11)	0.0282 (4)
H5	1.0384	0.6176	0.8409	0.034*
C22	0.50808 (15)	0.6266 (5)	0.29529 (12)	0.0278 (4)
C8	0.95719 (14)	0.0841 (4)	0.69332 (11)	0.0250 (4)
H8A	0.9242	−0.0884	0.6950	0.030*
C23	0.48191 (16)	0.8800 (5)	0.19033 (12)	0.0291 (5)
H23	0.5154	1.0378	0.2205	0.035*
C7	0.89546 (14)	0.2800 (4)	0.77118 (11)	0.0243 (4)
C14	0.82627 (15)	0.1980 (5)	0.42279 (11)	0.0287 (5)
H14	0.8401	0.0236	0.4091	0.034*
C25	0.54742 (16)	0.7171 (5)	0.16606 (12)	0.0314 (5)
C20	0.37594 (16)	0.3604 (5)	0.30452 (12)	0.0308 (5)
H20	0.3340	0.4491	0.2628	0.037*
C16	0.53049 (16)	0.2961 (5)	0.39209 (13)	0.0336 (5)
H16	0.5942	0.3418	0.4104	0.040*
C15	0.76517 (17)	0.3506 (6)	0.37411 (12)	0.0371 (5)
H15A	0.7504	0.5257	0.3867	0.044*
H15B	0.7356	0.2862	0.3262	0.044*
C28	0.62499 (15)	0.7506 (5)	0.07868 (12)	0.0322 (5)
H28	0.6496	0.5616	0.0915	0.039*
C18	0.40574 (17)	0.0346 (5)	0.39970 (13)	0.0338 (5)
H18	0.3840	−0.1010	0.4229	0.041*
C12	0.75833 (15)	0.0434 (5)	0.53746 (12)	0.0304 (5)
H12A	0.7522	−0.0610	0.5768	0.046*
H12B	0.7329	−0.0624	0.4929	0.046*
H12C	0.7245	0.2153	0.5314	0.046*
C4	0.99678 (17)	0.8405 (5)	0.90809 (12)	0.0342 (5)
H4A	1.0511	0.9482	0.9274	0.041*
C19	0.34438 (16)	0.1657 (5)	0.33928 (13)	0.0343 (5)
H19	0.2805	0.1219	0.3217	0.041*
C1	0.83745 (16)	0.5302 (5)	0.85134 (13)	0.0338 (5)
H1	0.7826	0.4246	0.8318	0.041*
C17	0.49868 (17)	0.1007 (6)	0.42635 (13)	0.0359 (5)
H17	0.5405	0.0121	0.4681	0.043*
C26	0.61548 (16)	0.8774 (5)	0.14491 (12)	0.0307 (5)
H26	0.5934	1.0695	0.1339	0.037*
C3	0.92564 (18)	0.8797 (5)	0.93149 (13)	0.0371 (5)
H3	0.9315	1.0126	0.9672	0.045*
C2	0.84610 (18)	0.7253 (6)	0.90288 (13)	0.0400 (6)
H2	0.7971	0.7535	0.9187	0.048*
C9	1.05202 (17)	0.0179 (6)	0.69334 (14)	0.0389 (6)
H9A	1.0839	0.1873	0.6912	0.058*
H9B	1.0448	−0.0951	0.6515	0.058*
H9C	1.0884	−0.0813	0.7374	0.058*
C24	0.39994 (18)	0.9808 (7)	0.12633 (16)	0.0460 (7)
H24A	0.3655	0.8249	0.0984	0.069*
H24B	0.4216	1.0943	0.0960	0.069*
H24C	0.3596	1.0887	0.1430	0.069*
C29	0.6908 (2)	0.9059 (7)	0.05534 (15)	0.0485 (7)
H29	0.6718	1.0810	0.0349	0.058*
C27	0.7077 (2)	0.8744 (8)	0.21025 (15)	0.0509 (7)
H27A	0.6974	0.9289	0.2533	0.076*
H27B	0.7508	1.0020	0.2022	0.076*
H27C	0.7339	0.6904	0.2170	0.076*
C30	0.7708 (2)	0.8223 (12)	0.0606 (2)	0.0802 (14)
H30A	0.7925	0.6485	0.0807	0.096*
H30B	0.8082	0.9344	0.0444	0.096*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
O6	0.0295 (7)	0.0313 (8)	0.0306 (8)	0.0010 (6)	0.0143 (6)	0.0062 (7)
O2	0.0254 (7)	0.0311 (8)	0.0252 (7)	−0.0017 (6)	0.0113 (6)	−0.0026 (6)
O4	0.0231 (7)	0.0244 (7)	0.0371 (8)	0.0000 (6)	0.0156 (6)	0.0022 (6)
O1	0.0256 (7)	0.0354 (9)	0.0338 (8)	−0.0041 (6)	0.0126 (6)	−0.0091 (7)
O8	0.0390 (8)	0.0325 (9)	0.0332 (8)	−0.0028 (7)	0.0120 (7)	−0.0013 (7)
O5	0.0304 (8)	0.0417 (10)	0.0430 (9)	−0.0039 (7)	0.0140 (7)	0.0119 (8)
O3	0.0645 (12)	0.0228 (8)	0.0302 (9)	0.0060 (8)	0.0196 (8)	−0.0015 (7)
O7	0.1004 (17)	0.0197 (9)	0.0799 (15)	−0.0014 (9)	0.0678 (14)	−0.0039 (9)
C10	0.0304 (10)	0.0210 (10)	0.0271 (10)	−0.0012 (8)	0.0160 (8)	−0.0004 (8)
C6	0.0301 (10)	0.0246 (10)	0.0192 (9)	0.0013 (8)	0.0077 (8)	0.0028 (8)
C11	0.0245 (10)	0.0200 (9)	0.0253 (10)	0.0001 (7)	0.0130 (8)	−0.0008 (8)
C21	0.0302 (11)	0.0225 (10)	0.0294 (11)	0.0006 (8)	0.0175 (9)	−0.0016 (8)
C13	0.0224 (9)	0.0229 (10)	0.0260 (10)	−0.0006 (8)	0.0130 (8)	−0.0013 (8)
C5	0.0323 (11)	0.0281 (11)	0.0213 (10)	−0.0003 (9)	0.0071 (8)	0.0041 (8)
C22	0.0302 (11)	0.0246 (10)	0.0315 (11)	0.0039 (8)	0.0152 (9)	0.0028 (9)
C8	0.0267 (10)	0.0260 (11)	0.0244 (10)	0.0020 (8)	0.0123 (8)	−0.0019 (8)
C23	0.0336 (11)	0.0253 (11)	0.0326 (11)	0.0028 (9)	0.0176 (9)	0.0041 (9)
C7	0.0246 (10)	0.0259 (10)	0.0223 (10)	0.0015 (8)	0.0088 (8)	0.0021 (8)
C14	0.0319 (11)	0.0296 (11)	0.0291 (11)	−0.0054 (9)	0.0168 (9)	−0.0055 (9)
C25	0.0446 (13)	0.0223 (12)	0.0324 (12)	0.0001 (9)	0.0205 (10)	−0.0028 (9)
C20	0.0301 (11)	0.0341 (12)	0.0306 (11)	0.0002 (9)	0.0145 (9)	−0.0011 (9)
C16	0.0279 (11)	0.0401 (13)	0.0348 (12)	−0.0007 (9)	0.0145 (9)	0.0059 (10)
C15	0.0368 (12)	0.0470 (14)	0.0261 (11)	−0.0045 (10)	0.0107 (10)	−0.0018 (10)
C28	0.0351 (11)	0.0318 (12)	0.0331 (12)	0.0018 (10)	0.0167 (10)	−0.0053 (10)
C18	0.0430 (13)	0.0312 (12)	0.0363 (12)	−0.0046 (10)	0.0254 (11)	−0.0001 (10)
C12	0.0276 (11)	0.0349 (12)	0.0327 (11)	−0.0033 (9)	0.0161 (9)	0.0009 (9)
C4	0.0399 (12)	0.0316 (12)	0.0244 (10)	−0.0055 (9)	0.0049 (9)	0.0017 (9)
C19	0.0325 (11)	0.0396 (13)	0.0355 (12)	−0.0077 (10)	0.0184 (10)	−0.0045 (10)
C1	0.0319 (12)	0.0396 (13)	0.0316 (12)	−0.0028 (10)	0.0140 (9)	−0.0076 (10)
C17	0.0371 (12)	0.0396 (13)	0.0344 (12)	0.0029 (10)	0.0176 (10)	0.0100 (10)
C26	0.0389 (12)	0.0249 (10)	0.0350 (11)	0.0001 (9)	0.0216 (10)	−0.0041 (9)
C3	0.0495 (14)	0.0340 (12)	0.0242 (10)	0.0017 (11)	0.0103 (10)	−0.0060 (10)
C2	0.0420 (13)	0.0467 (14)	0.0342 (12)	0.0023 (11)	0.0180 (10)	−0.0086 (11)
C9	0.0295 (12)	0.0530 (15)	0.0364 (13)	0.0085 (11)	0.0150 (10)	−0.0009 (11)
C24	0.0382 (13)	0.0566 (17)	0.0464 (15)	0.0067 (12)	0.0197 (12)	0.0228 (13)
C29	0.0509 (16)	0.0613 (18)	0.0454 (15)	−0.0170 (14)	0.0318 (13)	−0.0216 (14)
C27	0.0509 (16)	0.0655 (19)	0.0360 (14)	−0.0105 (14)	0.0164 (12)	−0.0122 (14)
C30	0.0534 (19)	0.130 (4)	0.071 (2)	−0.019 (2)	0.0389 (17)	−0.038 (3)

Geometric parameters (Å, º)

O6—C22	1.356 (3)	C16—C17	1.383 (3)
O6—C23	1.436 (3)	C16—H16	0.9500
O2—C7	1.355 (2)	C15—H15A	0.9500
O2—C8	1.438 (2)	C15—H15B	0.9500
O4—C13	1.443 (2)	C28—C29	1.499 (4)
O4—H4	0.8400	C28—C26	1.533 (3)
O1—C7	1.200 (3)	C28—H28	1.0000
O8—C28	1.432 (3)	C18—C17	1.384 (4)
O8—H8	0.8400	C18—C19	1.386 (4)
O5—C22	1.205 (3)	C18—H18	0.9500
O3—C10	1.204 (3)	C12—H12A	0.9800
O7—C25	1.194 (3)	C12—H12B	0.9800
C10—C8	1.519 (3)	C12—H12C	0.9800
C10—C11	1.524 (3)	C4—C3	1.383 (4)
C6—C5	1.392 (3)	C4—H4A	0.9500
C6—C1	1.398 (3)	C19—H19	0.9500
C6—C7	1.486 (3)	C1—C2	1.381 (4)
C11—C13	1.533 (3)	C1—H1	0.9500
C11—C12	1.534 (3)	C17—H17	0.9500
C11—H11	1.0000	C26—C27	1.536 (4)
C21—C16	1.386 (3)	C26—H26	1.0000
C21—C20	1.392 (3)	C3—C2	1.382 (4)
C21—C22	1.485 (3)	C3—H3	0.9500
C13—C14	1.496 (3)	C2—H2	0.9500
C13—H13	1.0000	C9—H9A	0.9800
C5—C4	1.387 (3)	C9—H9B	0.9800
C5—H5	0.9500	C9—H9C	0.9800
C8—C9	1.523 (3)	C24—H24A	0.9800
C8—H8A	1.0000	C24—H24B	0.9800
C23—C24	1.511 (3)	C24—H24C	0.9800
C23—C25	1.525 (3)	C29—C30	1.286 (5)
C23—H23	1.0000	C29—H29	0.9500
C14—C15	1.311 (4)	C27—H27A	0.9800
C14—H14	0.9500	C27—H27B	0.9800
C25—C26	1.515 (3)	C27—H27C	0.9800
C20—C19	1.386 (3)	C30—H30A	0.9500
C20—H20	0.9500	C30—H30B	0.9500
C22—O6—C23	114.68 (17)	O8—C28—C26	110.66 (18)
C7—O2—C8	114.31 (16)	C29—C28—C26	112.2 (2)
C13—O4—H4	109.5	O8—C28—H28	108.0
C28—O8—H8	109.5	C29—C28—H28	108.0
O3—C10—C8	121.1 (2)	C26—C28—H28	108.0
O3—C10—C11	120.7 (2)	C17—C18—C19	120.2 (2)
C8—C10—C11	118.12 (17)	C17—C18—H18	119.9
C5—C6—C1	119.5 (2)	C19—C18—H18	119.9
C5—C6—C7	122.80 (19)	C11—C12—H12A	109.5
C1—C6—C7	117.7 (2)	C11—C12—H12B	109.5
C10—C11—C13	108.21 (16)	H12A—C12—H12B	109.5
C10—C11—C12	107.76 (16)	C11—C12—H12C	109.5
C13—C11—C12	112.39 (17)	H12A—C12—H12C	109.5
C10—C11—H11	109.5	H12B—C12—H12C	109.5
C13—C11—H11	109.5	C3—C4—C5	120.4 (2)
C12—C11—H11	109.5	C3—C4—H4A	119.8
C16—C21—C20	120.2 (2)	C5—C4—H4A	119.8
C16—C21—C22	117.7 (2)	C20—C19—C18	120.2 (2)
C20—C21—C22	122.1 (2)	C20—C19—H19	119.9
O4—C13—C14	110.86 (16)	C18—C19—H19	119.9
O4—C13—C11	106.00 (16)	C2—C1—C6	120.0 (2)
C14—C13—C11	114.91 (17)	C2—C1—H1	120.0
O4—C13—H13	108.3	C6—C1—H1	120.0
C14—C13—H13	108.3	C16—C17—C18	119.9 (2)
C11—C13—H13	108.3	C16—C17—H17	120.1
C4—C5—C6	119.9 (2)	C18—C17—H17	120.1
C4—C5—H5	120.1	C25—C26—C28	110.55 (18)
C6—C5—H5	120.1	C25—C26—C27	106.7 (2)
O5—C22—O6	122.4 (2)	C28—C26—C27	111.5 (2)
O5—C22—C21	125.0 (2)	C25—C26—H26	109.3
O6—C22—C21	112.60 (19)	C28—C26—H26	109.3
O2—C8—C10	109.07 (16)	C27—C26—H26	109.3
O2—C8—C9	107.01 (18)	C2—C3—C4	119.9 (2)
C10—C8—C9	111.59 (18)	C2—C3—H3	120.0
O2—C8—H8A	109.7	C4—C3—H3	120.0
C10—C8—H8A	109.7	C1—C2—C3	120.4 (2)
C9—C8—H8A	109.7	C1—C2—H2	119.8
O6—C23—C24	106.33 (18)	C3—C2—H2	119.8
O6—C23—C25	109.98 (18)	C8—C9—H9A	109.5
C24—C23—C25	110.8 (2)	C8—C9—H9B	109.5
O6—C23—H23	109.9	H9A—C9—H9B	109.5
C24—C23—H23	109.9	C8—C9—H9C	109.5
C25—C23—H23	109.9	H9A—C9—H9C	109.5
O1—C7—O2	123.20 (19)	H9B—C9—H9C	109.5
O1—C7—C6	124.51 (19)	C23—C24—H24A	109.5
O2—C7—C6	112.29 (17)	C23—C24—H24B	109.5
C15—C14—C13	122.5 (2)	H24A—C24—H24B	109.5
C15—C14—H14	118.7	C23—C24—H24C	109.5
C13—C14—H14	118.7	H24A—C24—H24C	109.5
O7—C25—C26	121.7 (2)	H24B—C24—H24C	109.5
O7—C25—C23	121.3 (2)	C30—C29—C28	125.5 (4)
C26—C25—C23	117.00 (19)	C30—C29—H29	117.2
C19—C20—C21	119.5 (2)	C28—C29—H29	117.2
C19—C20—H20	120.3	C26—C27—H27A	109.5
C21—C20—H20	120.3	C26—C27—H27B	109.5
C17—C16—C21	120.1 (2)	H27A—C27—H27B	109.5
C17—C16—H16	120.0	C26—C27—H27C	109.5
C21—C16—H16	120.0	H27A—C27—H27C	109.5
C14—C15—H15A	120.0	H27B—C27—H27C	109.5
C14—C15—H15B	120.0	C29—C30—H30A	120.0
H15A—C15—H15B	120.0	C29—C30—H30B	120.0
O8—C28—C29	109.8 (2)	H30A—C30—H30B	120.0

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O8—H8···O7	0.84	2.63	3.140 (3)	120
C8—H8A···O3^i	1.00	2.41	3.235 (3)	140
C23—H23···O7^ii	1.00	2.54	3.189 (3)	122
C26—H26···O7^ii	1.00	2.29	3.205 (3)	151

Symmetry codes: (i) x, y−1, z; (ii) x, y+1, z.