Information card for entry 7115343

Structure parameters

• Formula: C36 H24 N4
• Calculated formula: C36 H24 N4
• SMILES: n1c2n(c(c3ccccc3)c1c1ccccc1)C1(N=C(c3ccccc3)C(=N1)c1ccccc1)c1ccccc21
• Title of publication: Pentaarylbiimidazole, PABI: an easily synthesized fast photochromic molecule with superior durability
• Authors of publication: Hiroaki Yamashita; Jiro Abe
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 8468
• a: 15.8279 ± 0.0016 Å
• b: 14.7391 ± 0.0015 Å
• c: 11.544 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2693.1 ± 0.5 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No