Crystallography Open Database

Information card for entry 7217452

Preview

Coordinates	7217452.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16.36 H16.07 Cl0.64 N2
Calculated formula	C16.356 H16.068 Cl0.644 N2
Title of publication	Tröger's base quasiracemates and crystal packing tendencies
Authors of publication	Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	31
Pages of publication	7251
a	6.0409 ± 0.0002 Å
b	8.0224 ± 0.0003 Å
c	27.0534 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1311.08 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0418
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.0914
Goodness-of-fit parameter for all reflections included in the refinement	1.191
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180505 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/74.	7217452.cif
121462	2014-08-06	cif/ Adding structures of 7217450, 7217451, 7217452, 7217453, 7217454, 7217455, 7217456, 7217457 via cif-deposit CGI script.	7217452.cif