Information card for entry 7131304

Structure parameters

• Formula: C52 H36 N4
• Calculated formula: C52 H36 N4
• SMILES: n12c(nc(c3ccccc3)c2c2ccccc2)c2c(c3c(cc2)cccc3C)C21c1c(C=CC2=C2N=C(c3ccccc3)C(=N2)c2ccccc2)cccc1C
• 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 ų
• 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 Fobs: No