Crystallography Open Database

Information card for entry 4116142

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Coordinates	4116142.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Glutaric acid
Chemical name	Pentane-1,5-dioic acid
Formula	C5 H8 O4
Calculated formula	C2.5 H4 O2
Title of publication	The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids
Authors of publication	Venkat R. Thalladi; Markus Nüsse; Roland Boese
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	9227 - 9236
a	12.9769 ± 0.0006 Å
b	4.7484 ± 0.0002 Å
c	9.6955 ± 0.0004 Å
α	90°
β	98.304 ± 0.002°
γ	90°
Cell volume	591.17 ± 0.04 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 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	0.0589
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for all reflections	0.1253
Weighted residual factors for significantly intense reflections	0.1162
Goodness-of-fit parameter for all reflections	0.99
Goodness-of-fit parameter for significantly intense reflections	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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