Information card for entry 7131306

Structure parameters

• Formula: C64 H48 N4
• Calculated formula: C64 H48 N4
• SMILES: n1c(c2ccccc2)c(n2c1c1c(n3c(nc(c4ccccc4)c3c3ccccc3)c3ccc4c(c(C)ccc4)c23)c2c(cc1)cccc2C)c1ccccc1.c1ccccc1.c1ccccc1
• 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: 13.5892 ± 0.0003 Å
• b: 17.5461 ± 0.0004 Å
• c: 19.4886 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4646.81 ± 0.18 ų
• Cell temperature: 105 ± 8 K
• Ambient diffraction temperature: 105 ± 8 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No