Information card for entry 4121454

Structure parameters

• Formula: C46 H34 N4
• Calculated formula: C46 H34 N4
• SMILES: N1=C(C(=NC21n1c(nc(c1c1cc3ccc1CCc1ccc(cc21)CC3)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Enhancing the versatility and functionality of fast photochromic bridged imidazole dimers by flipping imidazole rings.
• Authors of publication: Shima, Kentaro; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 10
• Pages of publication: 3796 - 3799
• a: 13.309 ± 0.003 Å
• b: 13.381 ± 0.003 Å
• c: 18.906 ± 0.004 Å
• α: 90°
• β: 98.895 ± 0.003°
• γ: 90°
• Cell volume: 3326.4 ± 1.3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 3
• 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: 0.0545
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No