Crystallography Open Database

Information card for entry 1553286

Preview

Coordinates	1553286.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H26 N2
Calculated formula	C15 H26 N2
SMILES	N12[C@H]3[C@@H](CCC2)CCC[C@@H]3CN2[C@H]1CCCC2
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	9.1535 ± 0.0015 Å
b	5.1702 ± 0.0009 Å
c	14.568 ± 0.002 Å
α	90°
β	106.495 ± 0.002°
γ	90°
Cell volume	661.06 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0375
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0994
Weighted residual factors for all reflections included in the refinement	0.1019
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
234054 (current)	2019-11-23	cif/ Adding structures of 1553286 via cif-deposit CGI script.	1553286.cif