Crystallography Open Database

Information card for entry 2008533

2008532 << 2008533 >> 2008534

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Structure parameters

Chemical name	Oleana-13(18), 15(16)-diene-3β, 28-diol diacetate
Formula	C34 H52 O4
Calculated formula	C34 H52 O4
SMILES	CC(=O)OC[C@@]12CCC(CC2=C2[C@](C=C1)(C)[C@]1(C)CC[C@@H]3[C@]([C@H]1CC2)(C)CC[C@@H](C3(C)C)OC(=O)C)(C)C
Title of publication	Dimethyl oleana-13(18),15(16)-diene-3β,28-diacetate
Authors of publication	Bhattacharyya, Kinkini; Kar, Tanusree; Dutta, Pradeep Kumar; Bocelli, Gabriele; Righi, Lara
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	6
Pages of publication	992 - 994
a	14.835 ± 0.002 Å
b	7.157 ± 0.003 Å
c	14.971 ± 0.003 Å
α	90°
β	103.05 ± 0.04°
γ	90°
Cell volume	1548.5 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1122
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for all reflections	0.1716
Weighted residual factors for significantly intense reflections	0.1247
Goodness-of-fit parameter for all reflections	0.822
Goodness-of-fit parameter for significantly intense reflections	1.048
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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