Information card for entry 7237591

Structure parameters

• Formula: C74 H26 B2 F32 N4 O4
• Calculated formula: C74 H26 B2 F32 N4 O4
• Title of publication: Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers
• Authors of publication: Ono, Toshikazu; Hisaeda, Yoshio
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 10
• Pages of publication: 2829
• a: 20.0295 ± 0.0019 Å
• b: 20.6089 ± 0.0019 Å
• c: 16.3863 ± 0.0015 Å
• α: 90°
• β: 105.092 ± 0.001°
• γ: 90°
• Cell volume: 6530.7 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1538
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No