Crystallography Open Database

Information card for entry 4116144

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Coordinates	4116144.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Pimelic acid
Chemical name	Heptane-1,7-dioic acid
Formula	C7 H14 O4
Calculated formula	C3.5 H6 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	17.7028 ± 0.0009 Å
b	4.727 ± 0.0002 Å
c	9.6713 ± 0.0004 Å
α	90°
β	106.58 ± 0.001°
γ	90°
Cell volume	775.66 ± 0.06 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	0.0621
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for all reflections	0.127
Weighted residual factors for significantly intense reflections	0.1207
Goodness-of-fit parameter for all reflections	0.979
Goodness-of-fit parameter for significantly intense reflections	1.094
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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