Crystallography Open Database

Information card for entry 7203149

7203148 << 7203149 >> 7203150

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Coordinates	7203149.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H26 N2 O
Calculated formula	C23.005 H26.01 N2.0025 O
Title of publication	Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs
Authors of publication	Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga
Journal of publication	CrystEngComm
Year of publication	2006
Journal volume	8
Journal issue	3
Pages of publication	233
a	25.078 ± 0.002 Å
b	25.078 ± 0.002 Å
c	25.078 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	15772 ± 2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.2378
Residual factor for significantly intense reflections	0.0764
Weighted residual factors for significantly intense reflections	0.2029
Weighted residual factors for all reflections included in the refinement	0.2691
Goodness-of-fit parameter for all reflections included in the refinement	0.941
Diffraction radiation wavelength	1.54138 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180362 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/31.	7203149.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203149.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203149.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203149.cif