Crystallography Open Database

Information card for entry 4517039

Preview

Coordinates	4517039.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 N2 O10
Calculated formula	C20 H18 N2 O10
Title of publication	Co-Crystals and Salts Obtained from Dinitrogen Bases and 1,2,3,4-Cyclobutane Tetracarboxylic Acid and the Use of the Latter As a Template for Solid-State Photocyclization Reactions
Authors of publication	Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	10
Pages of publication	4880
a	8.31 ± 0.0002 Å
b	8.561 ± 0.0002 Å
c	13.769 ± 0.0004 Å
α	85.77 ± 0.001°
β	89.028 ± 0.002°
γ	84.406 ± 0.001°
Cell volume	972.19 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1917
Residual factor for significantly intense reflections	0.0767
Weighted residual factors for significantly intense reflections	0.1888
Weighted residual factors for all reflections included in the refinement	0.222
Goodness-of-fit parameter for all reflections included in the refinement	0.805
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
239711 (current)	2019-11-24	cif/ Adding structures of 4517035, 4517036, 4517037, 4517038, 4517039, 4517040, 4517041, 4517042, 4517043 via cif-deposit CGI script.	4517039.cif