Crystallography Open Database

Information card for entry 1506314

Preview

Coordinates	1506314.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H34 Cl N3 O6
Calculated formula	C30 H34 Cl N3 O6
SMILES	Clc1c(N)cc(OC)c(c1)C(=O)N[C@@H]1C[C@H]([NH+](C1)CC)CO.O=C([O-])c1cc2cc3ccccc3cc2cc1.O
Title of publication	Enantiodifferentiating photocyclodimerization of 2-anthracenecarboxylic acid using a chiral N-(2-hydroxymethyl-4- pyrrolidinyl)benzamide template.
Authors of publication	Mizoguchi, Jun-ichi; Kawanami, Yuko; Wada, Takehiko; Kodama, Kazuya; Anzai, Kinsei; Yanagi, Toshiharu; Inoue, Yoshihisa
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	26
Pages of publication	6051 - 6054
a	29.6799 ± 0.0003 Å
b	6.1328 Å
c	16.0196 ± 0.0003 Å
α	90°
β	96.368 ± 0.002°
γ	90°
Cell volume	2897.91 ± 0.06 Å³
Cell temperature	296.1 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for all reflections included in the refinement	0.1129
Goodness-of-fit parameter for all reflections included in the refinement	0.98
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1506314.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506314.cif
48182	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506314 via cif-deposit CGI script.	1506314.cif