Crystallography Open Database

Information card for entry 4504159

Preview

Coordinates	4504159.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4-Carboxyphenylboronic acid hydrate
Formula	C7 H9 B O5
Calculated formula	C7 H9 B O5
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	7.566 ± 0.005 Å
b	11.929 ± 0.007 Å
c	9.769 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	881.7 ± 0.9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	37
Hermann-Mauguin space group symbol	C c c 2
Hall space group symbol	C 2 -2c
Residual factor for all reflections	0.0794
Residual factor for significantly intense reflections	0.0713
Weighted residual factors for significantly intense reflections	0.1587
Weighted residual factors for all reflections included in the refinement	0.1627
Goodness-of-fit parameter for all reflections included in the refinement	1.433
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.	4504159.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504159.cif
44937	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4504159 via cif-deposit CGI script.	4504159.cif