Crystallography Open Database

Information card for entry 1529284

Preview

Coordinates	1529284.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H27 N O2
Calculated formula	C17 H27 N O2
SMILES	O=C1[C@H]2[C@@]3([C@H](C1)C[C@H](C[C@@H]3O)C)C[C@@H]1CN(C)CC[C@H]21
Title of publication	Exceedingly Concise and Elegant Synthesis of (+)-Paniculatine, (-)-Magellanine, and (+)-Magellaninone.
Authors of publication	Lin, Kuo-Wei; Ananthan, Bakthavachalam; Tseng, Sheng-Fang; Yan, Tu-Hsin
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	15
Pages of publication	3938 - 3940
a	8.2578 ± 0.0003 Å
b	7.6701 ± 0.0003 Å
c	12.4589 ± 0.0005 Å
α	90°
β	99.389 ± 0.003°
γ	90°
Cell volume	778.55 ± 0.05 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0423
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.1047
Weighted residual factors for all reflections included in the refinement	0.1103
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1529284.cif
154770	2015-09-06	cif/ Updating files of 1529283, 1529284, 1529285 Original log message: Adding full bibliography for 1529283--1529285.cif.	1529284.cif
152528	2015-07-25	cif/ Adding structures of 1529284 via cif-deposit CGI script.	1529284.cif