Crystallography Open Database

Information card for entry 7203153

7203152 << 7203153 >> 7203154

Preview

Coordinates	7203153.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H31 N3 O
Calculated formula	C25 H31 N3 O
SMILES	N(c1ccc(C(O)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1)(C)C
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	11.006 ± 0.005 Å
b	10.491 ± 0.005 Å
c	19.293 ± 0.005 Å
α	86.37 ± 0.02°
β	88.4 ± 0.02°
γ	88.5 ± 0.02°
Cell volume	2221.6 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0549
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1391
Weighted residual factors for all reflections included in the refinement	0.1486
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	1.54178 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.	7203153.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203153.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203153.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203153.cif