Crystallography Open Database

Information card for entry 1566552

Preview

Coordinates	1566552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H31 N O3
Calculated formula	C17 H31 N O3
SMILES	O[C@H]([C@H](O)/C=C/C=C/[C@H]1N([C@H]([C@H](O)CC1)C)C)CCCC
Title of publication	Angiogenesis-Inhibitory Piperidine Alkaloids from the Leaves of <i>Microcos paniculata</i>.
Authors of publication	Wu, Zhen-Long; Zhang, Wei-Yan; Zhong, Jin-Cheng; Huang, Xiao-Jun; Xu, Wei; Chen, Min-Feng; Weng, Shao-Quan; Zhang, Dong-Mei; Che, Chun-Tao; Ye, Wen-Cai; Wang, Ying
Journal of publication	Journal of natural products
Year of publication	2022
Journal volume	85
Journal issue	2
Pages of publication	375 - 383
a	12.37896 ± 0.00019 Å
b	5.01515 ± 0.00014 Å
c	13.9105 ± 0.0003 Å
α	90°
β	99.1891 ± 0.0016°
γ	90°
Cell volume	852.51 ± 0.03 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0325
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0885
Weighted residual factors for all reflections included in the refinement	0.0892
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
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
273302 (current)	2022-03-04	cif/ Adding structures of 1566552 via cif-deposit CGI script.	1566552.cif