Crystallography Open Database

Information card for entry 2230792

Preview

Coordinates	2230792.cif
Original IUCr paper	HTML

Structure parameters

Common name	Pimelic acid‒urea (1/2)
Chemical name	Heptanedioic acid‒urea (1/2)
Formula	C9 H20 N4 O6
Calculated formula	C9 H20 N4 O6
Title of publication	Pimelic acid‒urea (1/2)
Authors of publication	Xu, Wei; Huang, Wen-xiang; Chen, Hong-yan
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	7
Pages of publication	o1795
a	15.103 ± 0.003 Å
b	11.073 ± 0.002 Å
c	9.166 ± 0.0018 Å
α	90°
β	112.72 ± 0.03°
γ	90°
Cell volume	1413.9 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0647
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1149
Weighted residual factors for all reflections included in the refinement	0.1349
Goodness-of-fit parameter for all reflections included in the refinement	1.144
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
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2230792.cif
120072	2014-07-11	Adding DOIs to range 2 structures.	2230792.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2230792.cif
23110	2011-08-04	../uploads/cif-deposit/cod/cif Adding structures of 2230792 via cif-deposit CGI script.	2230792.cif