Crystallography Open Database

Information card for entry 8105752

Preview

Coordinates	8105752.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H13 N3 O4
Calculated formula	C14 H13 N3 O4
Title of publication	The crystal structure of ammonium (E)-4-((4-carboxyphenyl)diazenyl)benzoate, C14H13N3O4
Authors of publication	Jian-Ge, Wang; Hua-Rui, Wang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	4
Pages of publication	569 - 570
a	11.4188 ± 0.0004 Å
b	3.7968 ± 0.0002 Å
c	30.232 ± 0.0018 Å
α	90°
β	96.037 ± 0.006°
γ	90°
Cell volume	1303.44 ± 0.11 Å³
Cell temperature	293.27 ± 0.1 K
Ambient diffraction temperature	293.27 ± 0.1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0725
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.2003
Weighted residual factors for all reflections included in the refinement	0.2073
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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