Crystallography Open Database

Information card for entry 1512059

1512058 << 1512059 >> 1512060

Preview

Coordinates	1512059.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H26 F3 N O6
Calculated formula	C17 H26 F3 N O6
SMILES	FC(F)(F)C(=O)[O-].O.O=C1[C@H]2[C@@H]3[C@]4([NH+](CCC3)CCC4=C1O)C[C@@H](C2)C.O
Title of publication	Lycospidine A, a New Type ofLycopodiumAlkaloid fromLycopodium complanatum
Authors of publication	Cheng, Jin-Tang; Liu, Fei; Li, Xiao-Nian; Wu, Xing-De; Dong, Liao-Bin; Peng, Li-Yan; Huang, Sheng-Xiong; He, Juan; Zhao, Qin-Shi
Journal of publication	Organic Letters
Year of publication	2013
Journal volume	15
Journal issue	10
Pages of publication	2438
a	9.241 ± 0.0017 Å
b	7.3317 ± 0.0013 Å
c	14.239 ± 0.003 Å
α	90°
β	106.149 ± 0.003°
γ	90°
Cell volume	926.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0415
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.097
Weighted residual factors for all reflections included in the refinement	0.1002
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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.	1512059.cif
87201	2013-07-14	cif/ Adding structures of 1512059 via cif-deposit CGI script.	1512059.cif