Crystallography Open Database

Information card for entry 1553287

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Structure parameters

Formula	C15 H24 N2 O
Calculated formula	C15 H24 N2 O
SMILES	O=C1N2[C@@H]3[C@@H](CCC[C@H]3CN3[C@H]2CCCC3)CC1.O=C1N2[C@H]3[C@H](CCC[C@@H]3CN3[C@@H]2CCCC3)CC1
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	8.8466 ± 0.0002 Å
b	9.1188 ± 0.0002 Å
c	9.5971 ± 0.0002 Å
α	95.094 ± 0.001°
β	112.717 ± 0.001°
γ	112.004 ± 0.001°
Cell volume	636.97 ± 0.03 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0515
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1481
Weighted residual factors for all reflections included in the refinement	0.1483
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1553287.cif
234056	2019-11-23	cif/ Adding structures of 1553287 via cif-deposit CGI script.	1553287.cif