Information card for entry 7121359

Structure parameters

• Formula: C105 H92 O2
• Calculated formula: C105 H92 O2
• Title of publication: Aggregation-induced emission of [3]cumulenes functionalized with heptagon-containing polyphenylenes.
• Authors of publication: Jiménez, Vicente G; Tapia, Rubén; Medel, Miguel A.; Mariz, Inês F A; Ribeiro, Tânia; Blanco, Victor; Cuerva, Juan M.; Maçôas, Ermelinda; Campaña, Araceli G
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 27
• Pages of publication: 3359 - 3362
• a: 11.1208 ± 0.0005 Å
• b: 22.2219 ± 0.0011 Å
• c: 16.4054 ± 0.0009 Å
• α: 90°
• β: 108.564 ± 0.002°
• γ: 90°
• Cell volume: 3843.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0911
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.1836
• Weighted residual factors for all reflections included in the refinement: 0.1914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No