Crystallography Open Database

Information card for entry 4122384

Preview

Coordinates	4122384.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 Br2 N2 O2
Calculated formula	C30 H32 Br2 N2 O2
SMILES	Brc1ccc(C(=O)N2CCCC3=C2C[C@@H]2C[C@H](C[C@]43[C@@H]2CCCN4C(=O)c2ccc(Br)cc2)C)cc1.Brc1ccc(C(=O)N2CCCC3=C2C[C@H]2C[C@@H](C[C@@]43[C@H]2CCCN4C(=O)c2ccc(Br)cc2)C)cc1
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	18.3618 ± 0.0015 Å
b	11.6411 ± 0.001 Å
c	25.598 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5471.6 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0505
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.0919
Weighted residual factors for all reflections included in the refinement	0.0973
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
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.	4122384.cif
123032	2014-09-06	cif/ Updating files of 4122382, 4122383, 4122384 Original log message: Adding full bibliography for 4122382--4122384.cif.	4122384.cif
122069	2014-08-18	cif/ Adding structures of 4122384 via cif-deposit CGI script.	4122384.cif