Crystallography Open Database

Information card for entry 4507200

Preview

Coordinates	4507200.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1H-CLF
Chemical name	2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , chloroform
Formula	C67 H73 Cl3 O6
Calculated formula	C67 H73 Cl3 O6
Title of publication	Polymorphism through Desolvation of the Solvates of a van der Waals Host
Authors of publication	Bhattacharya, Suman; Saha, Binoy K.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	2
Pages of publication	606
a	11.9291 ± 0.0014 Å
b	14.0095 ± 0.0019 Å
c	20.825 ± 0.002 Å
α	99.951 ± 0.011°
β	98.158 ± 0.009°
γ	115.35 ± 0.02°
Cell volume	3005.4 ± 0.9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2861
Residual factor for significantly intense reflections	0.0815
Weighted residual factors for significantly intense reflections	0.1918
Weighted residual factors for all reflections included in the refinement	0.2886
Goodness-of-fit parameter for all reflections included in the refinement	0.937
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179608 (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 4/50/72.	4507200.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507200.cif
73846	2013-02-21	cif/ Adding structures of 4507191, 4507192, 4507193, 4507194, 4507195, 4507196, 4507197, 4507198, 4507199, 4507200, 4507201, 4507202 via cif-deposit CGI script.	4507200.cif