Information card for entry 1504776

Structure parameters

• Formula: C62 H42 N4
• Calculated formula: C62 H42 N4
• SMILES: c12C3(n4c(c5c6ccccc6c(c6c7c(c(cc2)cc1)cccc7ccc6)cc5)nc(c4c1ccccc1)c1ccccc1)N=C(C(=N3)c1ccccc1)c1ccccc1.c1ccccc1
• Title of publication: Photochromism of a radical diffusion-inhibited hexaarylbiimidazole derivative with intense coloration and fast decoloration performance.
• Authors of publication: Fujita, Kana; Hatano, Sayaka; Kato, Daisuke; Abe, Jiro
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 14
• Pages of publication: 3105 - 3108
• a: 11.2793 ± 0.0017 Å
• b: 13.656 ± 0.002 Å
• c: 14.56 ± 0.002 Å
• α: 81.62 ± 0.002°
• β: 83.411 ± 0.002°
• γ: 82.068 ± 0.002°
• Cell volume: 2187.2 ± 0.5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No