Crystallography Open Database

Information card for entry 2010660

2010659 << 2010660 >> 2010661

Preview

Coordinates	2010660.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Oleana-12(13), 15(16)-diene-3α, 28 diol diacetate
Formula	C34 H52 O4
Calculated formula	C34 H52 O4
SMILES	C1C[C@H](C([C@H]2CC[C@]3([C@H]([C@]12C)CC=C1[C@@]3(C=C[C@]2([C@@H]1CC(CC2)(C)C)COC(=O)C)C)C)(C)C)OC(=O)C
Title of publication	Oleana-12(13),15(16)-diene-3α,28-diyl diacetate
Authors of publication	Bhattacharyya, Kinkini; Kar, Tanusree; Dutta, Pradeep Kumar; Achari, Basudeb; Bocelli, Gabriele; Righi, Lara
Journal of publication	Acta Crystallographica Section C
Year of publication	2000
Journal volume	56
Journal issue	2
Pages of publication	e60 - e61
a	16.645 ± 0.002 Å
b	25.768 ± 0.002 Å
c	7.066 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3030.7 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0502
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for all reflections	0.141
Weighted residual factors for all reflections included in the refinement	0.1367
Goodness-of-fit parameter for all reflections	1.123
Goodness-of-fit parameter for all reflections included in the refinement	1.162
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.