Crystallography Open Database

Information card for entry 7159920

Preview

Coordinates	7159920.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 N4
Calculated formula	C18 H16 N4
Title of publication	Structure and isomerization behavior relationships of new push-pull azo-pyrrole photoswitches.
Authors of publication	Gallardo-Rosas, D; Guevara-Vela, J M; Rocha-Rinza, T; Toscano, R. A.; López-Cortés, J G; Ortega-Alfaro, M C
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	20
Pages of publication	4123 - 4134
a	11.0543 ± 0.0016 Å
b	7.6061 ± 0.0011 Å
c	18.348 ± 0.003 Å
α	90°
β	97.582 ± 0.003°
γ	90°
Cell volume	1529.2 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1416
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1182
Weighted residual factors for all reflections included in the refinement	0.1567
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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