Crystallography Open Database

Information card for entry 7153651

Preview

Coordinates	7153651.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 O
Calculated formula	C14.0008 H18.0008 O1.0001
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	6.2093 ± 0.0004 Å
b	8.3668 ± 0.0005 Å
c	11.145 ± 0.0005 Å
α	74.54 ± 0.003°
β	89.252 ± 0.003°
γ	68.175 ± 0.003°
Cell volume	515.65 ± 0.05 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0882
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1213
Weighted residual factors for all reflections included in the refinement	0.1385
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
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.	7153651.cif
105757	2014-03-12	cif/ Adding structures of 7153651, 7153652, 7153653, 7153654, 7153655, 7153656, 7153657, 7153658, 7153659, 7153660 via cif-deposit CGI script.	7153651.cif