Crystallography Open Database

Information card for entry 7110161

Preview

Coordinates	7110161.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Dimethylamine 4-hydroxybenzoate
Formula	C9 H13 N O3
Calculated formula	C9 H13 N O3
Title of publication	Experimental evidence for 'carbon bonding' in the solid state from charge density analysis
Authors of publication	Sajesh P. Thomas; Mysore S. Pavan; T. N. Guru Row
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	50
Pages of publication	49
a	10.2123 ± 0.0002 Å
b	9.9415 ± 0.0002 Å
c	19.0947 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1938.6 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.063
Residual factor for significantly intense reflections	0.03
Weighted residual factors for all reflections included in the refinement	0.055
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
180215 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/01.	7110161.cif
106664	2014-03-15	cif/ (saulius@koala.ibt.lt) Adding DOIs to the rest of the Chem. Comm. files. Some of these files have author names differing from PubMed in diacritics (either diacritics are omitted or we have encoding problems); or they have a year difference of 1. However, since first pages always match and author names are variants of each other, I assume that DOIs are assigned correctly.	7110161.cif
91948	2013-12-30	cif/ Adding structures of 7110160, 7110161 via cif-deposit CGI script.	7110161.cif