Crystallography Open Database

Information card for entry 4030571

Preview

Coordinates	4030571.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H69 N O6 S3
Calculated formula	C78 H69 N O6 S3
Title of publication	Synthesis and properties of arylvinylidene-bridged triphenylamines.
Authors of publication	Hammer, Natalie; Shubina, Tatyana E.; Gisselbrecht, Jean-Paul; Hampel, Frank; Kivala, Milan
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	4
Pages of publication	2418 - 2424
a	30.7925 ± 0.0009 Å
b	16.2373 ± 0.0006 Å
c	34.0415 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	17020.3 ± 1.1 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1249
Residual factor for significantly intense reflections	0.0966
Weighted residual factors for significantly intense reflections	0.2928
Weighted residual factors for all reflections included in the refinement	0.3178
Goodness-of-fit parameter for all reflections included in the refinement	1.177
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178484 (current)	2016-03-21	cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/05.	4030571.cif
132915	2015-03-04	cif/ Updating files of 4030570, 4030571, 4030572 Original log message: Adding full bibliography for 4030570--4030572.cif.	4030571.cif
130737	2015-02-04	cif/ Adding structures of 4030571 via cif-deposit CGI script.	4030571.cif