Information card for entry 1551845

Structure parameters

• Common name: E4-1b form I
• Formula: C53 H44 N8
• Calculated formula: C53 H44 N8
• Title of publication: Photoinduced reversible switching of porosity in molecular crystals based on star-shaped azobenzene tetramers
• Authors of publication: Massimo Baroncini; Simone d Agostino; Giacomo Bergamini; Paola Ceroni; Angiolina Comotti; Piero Sozzani; Irene Bassanetti; Fabrizia Grepioni; Taylor M. Hernandez; Serena Silvi; Margherita Venturi; Alberto Credi
• Journal of publication: Nature Chemistry
• Year of publication: 2015
• Journal volume: 7
• Pages of publication: 634 - 640
• a: 24.2515 ± 0.0011 Å
• b: 24.2515 ± 0.0011 Å
• c: 7.7078 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4533.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.2338
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.2275
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No