Information card for entry 7124369

Structure parameters

• Formula: C33 H29 N15.5 O10.5 Zn0.25
• Calculated formula: C33 H29 N15.5 O10.5 Zn0.25
• Title of publication: A single-crystal-to-single-crystal transformation affording photochromic 3D MORF crystals
• Authors of publication: Yang, Xue; Giorgi, Michel; Karoui, Hakim; Gigmes, Didier; Hornebecq, Virginie; Ouari, Olivier; Kermagoret, Anthony; Bardelang, David
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 32.6797 ± 0.0002 Å
• b: 32.6797 ± 0.0002 Å
• c: 13.5625 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14484.2 ± 0.2 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 5
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No