Crystallography Open Database

Information card for entry 7214235

Preview

Coordinates	7214235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 N2 O4
Calculated formula	C24 H26 N2 O4
SMILES	c1(cccc2[nH]c3ccccc3c12)OCC(O)CNCCOc1ccccc1OC
Title of publication	An insight into carvedilol solid forms: effect of supramolecular interactions on the dissolution profiles
Authors of publication	Prado, Livia Deris; Rocha, Helvécio Vinícius Antunes; Resende, Jackson Antônio Lamounier Camargos; Ferreira, Glaucio Braga; de Figuereido Teixeira, Ana Maria Rangel
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	15
Pages of publication	3168
a	11.2908 ± 0.0003 Å
b	12.2293 ± 0.0003 Å
c	14.9933 ± 0.0004 Å
α	90°
β	91.389 ± 0.002°
γ	90°
Cell volume	2069.65 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0502
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.1022
Weighted residual factors for all reflections included in the refinement	0.1086
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
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
180473 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/42.	7214235.cif
108269	2014-03-30	cif/ Adding structures of 7214235, 7214236 via cif-deposit CGI script.	7214235.cif