Crystallography Open Database

Information card for entry 8106885

Preview

Coordinates	8106885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H25 N O4
Calculated formula	C20 H25 N O4
Title of publication	Crystal structure of triethylammonium 2′-carboxy-[1,1′-biphenyl]-2-carboxylate, C20H25NO4
Authors of publication	Hou, Yimin; Zeng, Huahui; Wu, Xiangxiang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	2
Pages of publication	395 - 397
a	8.3727 ± 0.0006 Å
b	9.7374 ± 0.0007 Å
c	12.3559 ± 0.0008 Å
α	80.826 ± 0.004°
β	73.432 ± 0.004°
γ	75.425 ± 0.004°
Cell volume	930.28 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1253
Weighted residual factors for all reflections included in the refinement	0.1374
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/8106885.html