Crystallography Open Database

Information card for entry 4511298

Preview

Coordinates	4511298.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 2
Formula	C56 H40 Cl2 N O
Calculated formula	C56 H40 Cl2 N O
Title of publication	Engineered Photochromism in Crystalline Salicylidene Anilines by Facilitating Rotation to Reach the Coloredtrans-Keto Form
Authors of publication	Staehle, Ira O.; Rodríguez-Molina, Braulio; Khan, Saeed I.; Garcia-Garibay, Miguel A.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	7
Pages of publication	3667
a	9.5933 ± 0.0005 Å
b	9.795 ± 0.0005 Å
c	23.4843 ± 0.0013 Å
α	99.652 ± 0.001°
β	94.184 ± 0.001°
γ	100.588 ± 0.0011°
Cell volume	2126.2 ± 0.2 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	0.0575
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.1181
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179659 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/12.	4511298.cif
119027	2014-07-05	cif/ Updating files of 4511297, 4511298, 4511299 Original log message: Adding full bibliography for 4511297--4511299.cif.	4511298.cif
116435	2014-06-12	cif/ Adding structures of 4511298 via cif-deposit CGI script.	4511298.cif