Crystallography Open Database

Information card for entry 1503811

Preview

Coordinates	1503811.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H23 N O3
Calculated formula	C16 H23 N O3
SMILES	C1CCC(=O)[C@@]23[C@@H]4CC(=O)O[C@]3(C[C@@H](C4)C)N1CCC2
Title of publication	Lycojapodine A, a novel alkaloid from Lycopodium japonicum.
Authors of publication	He, Juan; Chen, Xuan-Qin; Li, Ming-Ming; Zhao, Yu; Xu, Gang; Cheng, Xiao; Peng, Li-Yan; Xie, Min-Jin; Zheng, Yong-Tang; Wang, Yi-Ping; Zhao, Qin-Shi
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	6
Pages of publication	1397 - 1400
a	7.1643 ± 0.0008 Å
b	10.625 ± 0.0012 Å
c	9.4329 ± 0.0011 Å
α	90°
β	97.123 ± 0.001°
γ	90°
Cell volume	712.5 ± 0.14 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.043
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.088
Weighted residual factors for all reflections included in the refinement	0.0925
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1503811.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503811.cif
39101	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503811 via cif-deposit CGI script.	1503811.cif