Information card for entry 7237918

Structure parameters

• Formula: C47 H34 N2 O4
• Calculated formula: C47 H34 N2 O4
• Title of publication: Inclusion crystals as vapochromic chemosensors: fabrication of a mini-sensor array for discrimination of small aromatic molecules based on side-chain engineering of naphthalenediimide derivatives
• Authors of publication: Ono, Toshikazu; Tsukiyama, Yoshifumi; Hatanaka, Sou; Sakatsume, Yuma; Ogoshi, Tomoki; Hisaeda, Yoshio
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 31
• Pages of publication: 9726
• a: 20.032 ± 0.004 Å
• b: 5.762 ± 0.0012 Å
• c: 30.235 ± 0.007 Å
• α: 90°
• β: 100.56 ± 0.02°
• γ: 90°
• Cell volume: 3430.8 ± 1.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2081
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1698
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No