Information card for entry 7128262

Structure parameters

• Formula: C79 H56 O12
• Calculated formula: C79 H56 O12
• Title of publication: Fluorescent molecular glass based on hexadehydrotribenzo[12]annulene.
• Authors of publication: Kasahara, Yotaro; Hisaki, Ichiro; Akutagawa, Tomoyuki; Takeda, Takashi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 44
• Pages of publication: 5374 - 5377
• a: 24.3648 ± 0.0009 Å
• b: 9.5584 ± 0.0004 Å
• c: 25.854 ± 0.001 Å
• α: 90°
• β: 94.315 ± 0.007°
• γ: 90°
• Cell volume: 6004 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1689
• Residual factor for significantly intense reflections: 0.0973
• Weighted residual factors for significantly intense reflections: 0.2507
• Weighted residual factors for all reflections included in the refinement: 0.3107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No