Crystallography Open Database

Information card for entry 4023021

Preview

Coordinates	4023021.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H38 Cl4
Calculated formula	C48 H38 Cl4
Title of publication	Practical Synthesis of Unsymmetrical Tetraarylethylenes and Their Application for the Preparation of [Triphenylethylene-Spacer-Triphenylethylene] Triads
Authors of publication	Moloy Banerjee; Susanna J. Emond; Sergey V. Lindeman; Rajendra Rathore
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	8054 - 8061
a	5.8309 ± 0.0002 Å
b	15.9227 ± 0.0005 Å
c	20.984 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1948.23 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.0768
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for significantly intense reflections	0.1717
Weighted residual factors for all reflections included in the refinement	0.1728
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
178409 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/30.	4023021.cif
120074	2014-07-11	Adding DOIs to range 4/02 structures.	4023021.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4023021.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4023021.cif
430	2008-07-18	Adding CIFs from the J-Org-Chem-2002-2003-2007/ deposition.	4023021.cif