Crystallography Open Database

Information card for entry 7061305

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Coordinates	7061305.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H12 N2 O
Calculated formula	C13 H12 N2 O
Title of publication	Crystalline azobenzene composites as photochemical phase-change materials
Authors of publication	Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M.
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	9
Pages of publication	4057 - 4061
a	12.6025 ± 0.0002 Å
b	12.2998 ± 0.0002 Å
c	7.3502 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1139.34 ± 0.03 Å³
Cell temperature	220 ± 0.1 K
Ambient diffraction temperature	220 ± 0.1 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0294
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0818
Weighted residual factors for all reflections included in the refinement	0.0835
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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