Crystallography Open Database

Information card for entry 7059896

Preview

Coordinates	7059896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H26 N4
Calculated formula	C38 H26 N4
Title of publication	Synthesis and structural characterisation of bulky heptaaromatic (hetero)aryl o-substituted s-aryltetrazines
Authors of publication	Mboyi, Clève D.; Daher, Ahmad; Khirzada, Neelab; Devillers, Charles H.; Cattey, Hélène; Fleurat-Lessard, Paul; Roger, Julien; Hierso, Jean-Cyrille
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	35
Pages of publication	15235 - 15243
a	36.798 ± 0.003 Å
b	14.1747 ± 0.0011 Å
c	10.8322 ± 0.0008 Å
α	90°
β	92.909 ± 0.003°
γ	90°
Cell volume	5642.8 ± 0.8 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0791
Residual factor for significantly intense reflections	0.0648
Weighted residual factors for significantly intense reflections	0.1484
Weighted residual factors for all reflections included in the refinement	0.1549
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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