Crystallography Open Database

Information card for entry 4122382

Preview

Coordinates	4122382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H34 N2 O2
Calculated formula	C30 H34 N2 O2
SMILES	O=C(N1CCCC2=C1C[C@H]1C[C@H](C[C@]32N(CCC[C@@H]13)C(=O)c1ccccc1)C)c1ccccc1
Title of publication	Biogenetically inspired total syntheses of lycopodium alkaloids, (+)-flabellidine and (-)-lycodine.
Authors of publication	Azuma, Masayuki; Yoshikawa, Tetsuya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	33
Pages of publication	11618 - 11621
a	10.9517 ± 0.0002 Å
b	9.02967 ± 0.00016 Å
c	13.0861 ± 0.0003 Å
α	90°
β	105.544 ± 0.001°
γ	90°
Cell volume	1246.76 ± 0.04 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 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 significantly intense reflections	0.05
Weighted residual factors for all reflections included in the refinement	0.1137
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179025 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/23.	4122382.cif
123032	2014-09-06	cif/ Updating files of 4122382, 4122383, 4122384 Original log message: Adding full bibliography for 4122382--4122384.cif.	4122382.cif
122067	2014-08-18	cif/ Adding structures of 4122382 via cif-deposit CGI script.	4122382.cif