Information card for entry 1551846

Structure parameters

• Common name: E4-1b form II
• Chemical name: tetrakis(4-((E)-p-tolyldiazenyl)phenyl)methane
• Formula: C53 H44 N8
• Calculated formula: C53 H44 N8
• SMILES: c1(ccc(cc1)/N=N/c1ccc(cc1)C)C(c1ccc(cc1)/N=N/c1ccc(cc1)C)(c1ccc(cc1)/N=N/c1ccc(cc1)C)c1ccc(cc1)/N=N/c1ccc(cc1)C
• 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: 24.072 ± 0.002 Å
• b: 24.072 ± 0.002 Å
• c: 7.4555 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4320.2 ± 0.9 ų
• Cell temperature: 297.65 K
• Ambient diffraction temperature: 297.65 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: 0.3267
• Residual factor for significantly intense reflections: 0.0903
• Weighted residual factors for significantly intense reflections: 0.1848
• Weighted residual factors for all reflections included in the refinement: 0.2853
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No