Crystallography Open Database

Information card for entry 7057939

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Coordinates	7057939.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H33 N5 O7 S
Calculated formula	C38 H32 N5 O7 S
Title of publication	Crystal engineering with isosteric triether and triamine linked aromatic tri-carboxylic acids: iso-structurality and synthon interplay in their co-crystals and salts with bis(pyridyl) derivatives
Authors of publication	Das, Debarati; Roy, Sandipan; Biradha, Kumar
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	24
Pages of publication	19953
a	9.017 ± 0.008 Å
b	11.28 ± 0.011 Å
c	16.817 ± 0.015 Å
α	97.49 ± 0.02°
β	91.87 ± 0.03°
γ	92.38 ± 0.02°
Cell volume	1693 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1221
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1609
Weighted residual factors for all reflections included in the refinement	0.2018
Goodness-of-fit parameter for all reflections included in the refinement	0.989
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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