Crystallography Open Database

Information card for entry 4347993

Preview

Coordinates	4347993.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H11 Cl N2 O2
Calculated formula	C12 H11 Cl N2 O2
SMILES	Clc1ccc(O)c(/C=C/2N=C(N(C2=O)C)C)c1
Title of publication	Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems.
Authors of publication	Dolgopolova, Ekaterina A.; Rice, Allison M.; Smith, Mark D.; Shustova, Natalia B.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	15
Pages of publication	7257 - 7264
a	6.8751 ± 0.0002 Å
b	8.0439 ± 0.0002 Å
c	10.0589 ± 0.0003 Å
α	92.1523 ± 0.0013°
β	96.7115 ± 0.0012°
γ	98.5268 ± 0.0012°
Cell volume	545.51 ± 0.03 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.0823
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
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
232624 (current)	2019-11-23	cif/ Adding structures of 4347993 via cif-deposit CGI script.	4347993.cif