Crystallography Open Database

Information card for entry 4506410

Preview

Coordinates	4506410.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132 H104
Calculated formula	C132 H104
Title of publication	Crystals and Aggregates of a Molecular Tetrarotor with Multiple Trityl Embraces Derived from Tetraphenyladamantane
Authors of publication	Stopin, Antoine; Garcia-Garibay, Miguel A.
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	7
Pages of publication	3792
a	20.994 ± 0.007 Å
b	32.153 ± 0.011 Å
c	6.953 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4693 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	2
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.1249
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.1415
Goodness-of-fit parameter for all reflections included in the refinement	0.919
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
179600 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/64.	4506410.cif
113360	2014-05-11	cif/ Updating files of 4506410 Original log message: Adding full bibliography for 4506410.cif.	4506410.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506410.cif
62270	2012-07-07	cif/ Adding structures of 4506410 via cif-deposit CGI script.	4506410.cif