Crystallography Open Database

Information card for entry 7214277

Preview

Coordinates	7214277.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MBDA-Form-II
Chemical name	4,4'-Methylene-bis(2,6-dimethylaniline)
Formula	C17 H22 N2
Calculated formula	C17 H22 N2
Title of publication	Steric guided anomalous thermal expansion in a dimorphic organic system
Authors of publication	Bhattacharya, Suman; Saha, Binoy K.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	12
Pages of publication	2340
a	17.8536 ± 0.0016 Å
b	8.07 ± 0.0006 Å
c	14.1329 ± 0.0011 Å
α	90°
β	133.271 ± 0.005°
γ	90°
Cell volume	1482.6 ± 0.2 Å³
Cell temperature	208 ± 2 K
Ambient diffraction temperature	208 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0859
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1222
Weighted residual factors for all reflections included in the refinement	0.1393
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	7214277.cif
108278	2014-03-30	cif/ Adding structures of 7214269, 7214270, 7214271, 7214272, 7214273, 7214274, 7214275, 7214276, 7214277, 7214278, 7214279, 7214280 via cif-deposit CGI script.	7214277.cif