Crystallography Open Database

Information card for entry 1519613

1519612 << 1519613 >> 1519614

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Structure parameters

Formula	C30 H48 O4
Calculated formula	C30 H48 O4
SMILES	O=C1CC[C@@]23[C@H](C1(C)C)CC[C@@H]1[C@]2(CC[C@]2([C@]1(CC[C@@H]2[C@@H]1CO[C@@H]([C@@H](O)C1)C(O)(C)C)C)C)C3
Title of publication	Anti-inflammatory Terpenoids from the Leaves and Twigs of Dysoxylum gotadhora.
Authors of publication	Jiang, Kan; Chen, Lu-Lin; Wang, Shu-Fang; Wang, Yi; Li, Ya; Gao, Kun
Journal of publication	Journal of natural products
Year of publication	2015
Journal volume	78
Journal issue	5
Pages of publication	1037 - 1044
a	9.4572 ± 0.0003 Å
b	7.77569 ± 0.00019 Å
c	19.2277 ± 0.0005 Å
α	90°
β	103.188 ± 0.003°
γ	90°
Cell volume	1376.64 ± 0.07 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	0.0485
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1284
Weighted residual factors for all reflections included in the refinement	0.131
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1519613.cif
138268	2015-06-05	cif/ Updating files of 1519613, 1519614, 1519615 Original log message: Adding full bibliography for 1519613--1519615.cif.	1519613.cif
136302	2015-05-13	cif/ Adding structures of 1519613 via cif-deposit CGI script.	1519613.cif