Crystallography Open Database

Information card for entry 7248919

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Coordinates	7248919.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H14 Br N3 O2
Calculated formula	C15 H14 Br N3 O2
Title of publication	Photoswitchable hydrazones with pyridine-based rotors and halogen substituents
Authors of publication	Kotásková, Lucie; Jewula, Pawel; Herchel, Radovan; Nemec, Ivan; Neugebauer, Petr
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	29
Pages of publication	20856 - 20866
a	4.7709 ± 0.0001 Å
b	18.2539 ± 0.0005 Å
c	16.7122 ± 0.0004 Å
α	90°
β	97.166 ± 0.002°
γ	90°
Cell volume	1444.06 ± 0.06 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	5
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	0.036
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0842
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	1.0296
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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