Crystallography Open Database

Information card for entry 7245606

Preview

Coordinates	7245606.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H24 N2 O2
Calculated formula	C15 H24 N2 O2
SMILES	O[C@]12CCCN[C@@H]2[C@@H]2[C@@H]3N(C1=O)CCC[C@@H]3CCC2.O=C1N2[C@H]3[C@@H](CCC2)CCC[C@H]3[C@@H]2NCCC[C@]12O
Title of publication	Scalemic myrionsumamide A, tetracyclic skeleton alkaloids from Myrioneuron effusum
Authors of publication	Zhang, Jia-Hui; Cao, Mingming; Zhang, Yu; Li, Xiao-Hui; Gu, Yu-Cheng; Li, Xiao-Nian; Di, Ying-Tong; Hao, Xiao-Jiang
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	43
Pages of publication	28147 - 28151
a	10.0436 ± 0.0005 Å
b	11.4268 ± 0.0006 Å
c	12.7535 ± 0.0006 Å
α	92.782 ± 0.001°
β	96.893 ± 0.001°
γ	108.438 ± 0.001°
Cell volume	1372.67 ± 0.12 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	0.0747
Residual factor for significantly intense reflections	0.0744
Weighted residual factors for significantly intense reflections	0.2159
Weighted residual factors for all reflections included in the refinement	0.2165
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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
278351 (current)	2022-10-05	cif/ Adding structures of 7245606 via cif-deposit CGI script.	7245606.cif