Information card for entry 1507819

Structure parameters

• Formula: C34.5 H24.5 Cl1.5 N2 O2
• Calculated formula: C34.5 H24.5 Cl1.5 N2 O2
• Title of publication: Fusion of photochromic reaction and synthetic reaction: photoassisted cyclization to highly strained chiral azobenzenophanes.
• Authors of publication: Takaishi, Kazuto; Kawamoto, Masuki; Muranaka, Atsuya; Uchiyama, Masanobu
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 3252 - 3255
• a: 11.148 ± 0.0001 Å
• b: 18.6856 ± 0.0002 Å
• c: 26.1462 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5446.44 ± 0.1 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• 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: 0.1006
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1631
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No