Crystallography Open Database

Information card for entry 1530392

Preview

Coordinates	1530392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H44 O4
Calculated formula	C29 H44 O4
SMILES	O[C@H]1C([C@@H]2CC=C3[C@]4([C@]5(O[C@@]5([C@@H](C[C@@H]5O[C@H]5C(=O)C)C)CC4)[C@@H](C[C@H]3[C@]2(CC1)C)C)C)(C)C
Title of publication	Kadcoccinones A-F, New Biogenetically Related Lanostane-Type Triterpenoids with Diverse Skeletons from Kadsura coccinea.
Authors of publication	Hu, Zheng-Xi; Shi, Yi-Ming; Wang, Wei-Guang; Li, Xiao-Nian; Du, Xue; Liu, Miao; Li, Yan; Xue, Yong-Bo; Zhang, Yong-Hui; Pu, Jian-Xin; Sun, Han-Dong
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	18
Pages of publication	4616 - 4619
a	7.357 ± 0.0003 Å
b	11.5004 ± 0.0005 Å
c	15.8083 ± 0.0006 Å
α	101.789 ± 0.002°
β	102.383 ± 0.002°
γ	90.228 ± 0.001°
Cell volume	1277.24 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0967
Residual factor for significantly intense reflections	0.0954
Weighted residual factors for significantly intense reflections	0.2396
Weighted residual factors for all reflections included in the refinement	0.2429
Goodness-of-fit parameter for all reflections included in the refinement	1.183
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
160562 (current)	2015-10-06	cif/ Updating files of 1530390, 1530391, 1530392, 1530393 Original log message: Adding full bibliography for 1530390--1530393.cif.	1530392.cif
155479	2015-09-09	cif/ Adding structures of 1530392 via cif-deposit CGI script.	1530392.cif