Crystallography Open Database

Information card for entry 7057940

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Coordinates	7057940.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H23 N3 O7
Calculated formula	C27 H21.5 N3 O7
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	26.2114 ± 0.0018 Å
b	7.6705 ± 0.0006 Å
c	26.7036 ± 0.0018 Å
α	90°
β	118.679 ± 0.004°
γ	90°
Cell volume	4710.2 ± 0.6 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.214
Residual factor for significantly intense reflections	0.0716
Weighted residual factors for significantly intense reflections	0.1538
Weighted residual factors for all reflections included in the refinement	0.2036
Goodness-of-fit parameter for all reflections included in the refinement	0.993
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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