Crystallography Open Database

Information card for entry 7153655

Preview

Coordinates	7153655.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 Br2 Cl4
Calculated formula	C14 H14 Br2 Cl4
Title of publication	A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.
Authors of publication	Olbrich, Martin; Mayer, Peter; Trauner, Dirk
Journal of publication	Organic & biomolecular chemistry
Year of publication	2014
Journal volume	12
Journal issue	1
Pages of publication	108 - 112
a	8.5158 ± 0.0003 Å
b	12.1809 ± 0.0005 Å
c	14.7928 ± 0.0005 Å
α	90°
β	98.852 ± 0.003°
γ	90°
Cell volume	1516.18 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0487
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.1162
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
180322 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/36.	7153655.cif
105757	2014-03-12	cif/ Adding structures of 7153651, 7153652, 7153653, 7153654, 7153655, 7153656, 7153657, 7153658, 7153659, 7153660 via cif-deposit CGI script.	7153655.cif