Crystallography Open Database

Information card for entry 7219497

7219496 << 7219497 >> 7219498

Preview

Coordinates	7219497.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H30 F6 N2 O2
Calculated formula	C27 H30 F6 N2 O2
Title of publication	Phase transition studies of dutasteride crystalline forms
Authors of publication	Łaszcz, M.; Trzcińska, K.; Witkowska, A.; Lipiec-Abramska, E.; Szczepek, W. J.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	11
Pages of publication	2346
a	7.48732 ± 0.00015 Å
b	9.95589 ± 0.00019 Å
c	33.0328 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2462.36 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0824
Weighted residual factors for all reflections included in the refinement	0.0869
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180525 (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 7/21/94.	7219497.cif
133220	2015-03-06	cif/ Updating files of 7219497 Original log message: Adding full bibliography for 7219497.cif.	7219497.cif
131214	2015-02-06	cif/ Adding structures of 7219497 via cif-deposit CGI script.	7219497.cif