Crystallography Open Database

Information card for entry 1553285

Preview

Coordinates	1553285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H24.6667 N2 O1.3333
Calculated formula	C16 H24 N2 O1.33333
SMILES	O=CC1=CN2[C@@H]3N(CCCC3)C[C@H]3[C@H]2[C@@H](CCC3)C1.O
Title of publication	Alkaloids with Different Carbon Units from Myrioneuron faberi.
Authors of publication	Cao, Ming-Ming; Zhang, Yu; Huang, Sheng-Dian; Di, Ying-Tong; Peng, Zong-Gen; Jiang, Jian-Dong; Yuan, Chun-Mao; Chen, Duo-Zhi; Li, Shun-Lin; He, Hong-Ping; Hao, Xiao-Jiang
Journal of publication	Journal of natural products
Year of publication	2015
Journal volume	78
Journal issue	11
Pages of publication	2609 - 2616
a	9.7135 ± 0.0003 Å
b	13.9213 ± 0.0004 Å
c	31.7069 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4287.6 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0452
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.128
Weighted residual factors for all reflections included in the refinement	0.1283
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
275856 (current)	2022-06-07	cif/1: Fixing Z values and formulae	1553285.cif
234053	2019-11-23	cif/ Adding structures of 1553285 via cif-deposit CGI script.	1553285.cif