Crystallography Open Database

Information card for entry 1513141

Preview

Coordinates	1513141.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H23 N O3
Calculated formula	C16 H23 N O3
SMILES	N12[C@]34OC(=O)[C@H](C3)C[C@@H]3[C@@]4(CCC1)[C@@H](CCC2)[C@H](O)C3
Title of publication	Divergent Total Syntheses of (−)-Lycopladine D, (+)-Fawcettidine, and (+)-Lycoposerramine Q
Authors of publication	Zeng, Chen; Zheng, Changwu; Zhao, Jingyun; Zhao, Gang
Journal of publication	Organic Letters
Year of publication	2013
Journal volume	15
Journal issue	22
Pages of publication	5846
a	8.6643 ± 0.0006 Å
b	16.9926 ± 0.0012 Å
c	19.039 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2803.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.054
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.1012
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513141.cif
108723	2014-04-03	cif/1 Fixing formula and Z values	1513141.cif
91720	2013-12-13	cif/ Adding structures of 1513141 via cif-deposit CGI script.	1513141.cif