Crystallography Open Database

Information card for entry 7131304

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Coordinates	7131304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H36 N4
Calculated formula	C52 H36 N4
Title of publication	Acceleration of the thermal back-reaction and the finding of a non-photochromic isomer for a negative photochromic binaphthyl-bridged imidazole dimer.
Authors of publication	Mutoh, Katsuya; Moriyama, Natsuho; Abe, Jiro
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	20
Pages of publication	2962 - 2965
a	11.6158 ± 0.0003 Å
b	25.7155 ± 0.0008 Å
c	12.4043 ± 0.0004 Å
α	90°
β	94.105 ± 0.003°
γ	90°
Cell volume	3695.73 ± 0.19 Å³
Cell temperature	104 ± 7 K
Ambient diffraction temperature	104 ± 7 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.096
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.0944
Weighted residual factors for all reflections included in the refinement	0.1114
Goodness-of-fit parameter for all reflections included in the refinement	1.0332
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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