Crystallography Open Database

Information card for entry 7052905

Preview

Coordinates	7052905.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H32 O3
Calculated formula	C39 H32 O3
Title of publication	A new tetraarylcyclopentadienone based low molecular weight gelator: synthesis, self-assembly properties and anion recognition
Authors of publication	Boiani, Mattia; Baschieri, Andrea; Cesari, Cristiana; Mazzoni, Rita; Stagni, Stefano; Zacchini, Stefano; Sambri, Letizia
Journal of publication	New Journal of Chemistry
Year of publication	2012
Journal volume	36
Journal issue	7
Pages of publication	1469
a	6.0489 ± 0.0017 Å
b	13.222 ± 0.004 Å
c	20.272 ± 0.006 Å
α	73.883 ± 0.004°
β	86.839 ± 0.004°
γ	77.762 ± 0.004°
Cell volume	1522.2 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.231
Residual factor for significantly intense reflections	0.1055
Weighted residual factors for significantly intense reflections	0.2703
Weighted residual factors for all reflections included in the refinement	0.3554
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
180083 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/29.	7052905.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052905.cif
62948	2012-07-09	cif/ Adding structures of 7052904, 7052905 via cif-deposit CGI script.	7052905.cif