Crystallography Open Database

Information card for entry 7203225

7203224 << 7203225 >> 7203226

Preview

Coordinates	7203225.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1,2-bis-(3-Fluorophenyl)-6-methoxy-1,2,3,4- tetrahydroisoquinoline
Formula	C22 H18 F2 N O
Calculated formula	C22 H17 F2 N O
Title of publication	Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines
Authors of publication	Choudhury, Angshuman Roy; Row, Tayur N. Guru
Journal of publication	CrystEngComm
Year of publication	2006
Journal volume	8
Journal issue	3
Pages of publication	265
a	16.628 ± 0.006 Å
b	45.589 ± 0.012 Å
c	9.044 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6856 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0283
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.075
Weighted residual factors for all reflections included in the refinement	0.0757
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
180363 (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 7/20/32.	7203225.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203225.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203225.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203225.cif