Crystallography Open Database

Information card for entry 1519756

1519755 << 1519756 >> 1519757

Preview

Coordinates	1519756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H42 O5
Calculated formula	C30 H42 O5
SMILES	O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@]12C(=O)CC[C@@]2(C1=C[C@H]1O[C@]3(OC(=O)C(=C3)C)C[C@H]([C@@]21C)C)C)C
Title of publication	Spirochensilides A and B, Two New Rearranged Triterpenoids from Abies chensiensis.
Authors of publication	Zhao, Qian-Qian; Song, Qiu-Yan; Jiang, Kan; Li, Guang-Da; Wei, Wen-Jun; Li, Ya; Gao, Kun
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	11
Pages of publication	2760 - 2763
a	7.3312 ± 0.0004 Å
b	12.6193 ± 0.0006 Å
c	14.4778 ± 0.0008 Å
α	90°
β	98.847 ± 0.005°
γ	90°
Cell volume	1323.47 ± 0.12 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	0.0838
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for significantly intense reflections	0.1423
Weighted residual factors for all reflections included in the refinement	0.1788
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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
152911 (current)	2015-08-05	cif/ Updating files of 1519756 Original log message: Adding full bibliography for 1519756.cif.	1519756.cif
137000	2015-05-20	cif/ Adding structures of 1519756 via cif-deposit CGI script.	1519756.cif