Crystallography Open Database

Information card for entry 4116154

Preview

Coordinates	4116154.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	17.6631 ± 0.0011 Å
b	4.789 ± 0.0003 Å
c	9.8882 ± 0.0007 Å
α	90°
β	105.612 ± 0.002°
γ	90°
Cell volume	805.57 ± 0.09 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0599
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for all reflections	0.1438
Weighted residual factors for significantly intense reflections	0.129
Goodness-of-fit parameter for all reflections	1.03
Goodness-of-fit parameter for significantly intense reflections	1.116
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4116154.html