Crystallography Open Database

Information card for entry 7246038

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Coordinates	7246038.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H28 N2 O17
Calculated formula	C26 H28 N2 O17
Title of publication	Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate
Authors of publication	Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	5
Pages of publication	770 - 784
a	11.7567 ± 0.0003 Å
b	11.7617 ± 0.0003 Å
c	12.4158 ± 0.0003 Å
α	92.673°
β	115.837°
γ	115.556°
Cell volume	1334.57 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 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	0.0651
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.1499
Weighted residual factors for all reflections included in the refinement	0.0887
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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