Crystallography Open Database

Information card for entry 2003506

2003505 << 2003506 >> 2003507

Preview

Coordinates	2003506.cif
Original IUCr paper	HTML

Structure parameters

Formula	C32 H46 O7
Calculated formula	C32 H46 O7
SMILES	COC(=O)C(=O)C([C@@H]1CC[C@@]2([C@@H]([C@@]1(C)C=O)C(=O)C=C1[C@@]2(C)CC[C@@]2([C@H]1CC(CC2)(C)C)C(=O)OC)C)(C)C
Title of publication	Triterpenoide. VII. Über die Struktur von neuen 2-oxa- und 1,2-seco-Derivaten des Olenanolsäuremethylesters
Authors of publication	Gzella, A.; Wrzeciono, U.; Zaprutko, L.
Journal of publication	Acta Crystallographica Section C
Year of publication	1995
Journal volume	51
Journal issue	5
Pages of publication	908 - 912
a	7.709 ± 0.001 Å
b	18.293 ± 0.002 Å
c	21.082 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2973 ± 0.7 Å³
Cell temperature	293 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 significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.046
Goodness-of-fit parameter for significantly intense reflections	3.8027
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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