Crystallography Open Database

Information card for entry 2021914

2021913 << 2021914 >> 2021915

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Coordinates	2021914.cif
Original IUCr paper	HTML

Structure parameters

Formula	C14 H14 N2 O4
Calculated formula	C14 H14 N2 O4
Title of publication	Supramolecular heterosynthon assemblies of ortho-phenylenediamine with substituted aromatic carboxylic acids
Authors of publication	Mishra, Risha; Pallepogu, Raghavaiah
Journal of publication	Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials
Year of publication	2018
Journal volume	74
Journal issue	1
Pages of publication	32
a	4.101 ± 0.002 Å
b	11.892 ± 0.007 Å
c	13.092 ± 0.008 Å
α	93.491 ± 0.009°
β	97.769 ± 0.01°
γ	90.28 ± 0.01°
Cell volume	631.4 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.15 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	0.0509
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1155
Weighted residual factors for all reflections included in the refinement	0.1218
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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