Crystallography Open Database

Information card for entry 4504158

Preview

Coordinates	4504158.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4-Carboxyphenylboronic acid
Formula	C7 H7 B O4
Calculated formula	C7 H7 B O4
Title of publication	Solid-State Structures of 4-Carboxyphenylboronic Acid and Its Hydrates
Authors of publication	SeethaLekshmi, Nanappan; Pedireddi, Venkateswara Rao
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	5
Pages of publication	944
a	11.378 ± 0.005 Å
b	9.825 ± 0.005 Å
c	7.245 ± 0.003 Å
α	90°
β	120.08 ± 0.02°
γ	90°
Cell volume	700.8 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	4
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	0.0871
Residual factor for significantly intense reflections	0.0758
Weighted residual factors for significantly intense reflections	0.2161
Weighted residual factors for all reflections included in the refinement	0.2277
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
179576 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/41.	4504158.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504158.cif
44936	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4504158 via cif-deposit CGI script.	4504158.cif