Information card for entry 7121358

Structure parameters

• Formula: C30 H20
• Calculated formula: C30 H20
• 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: 14.703 ± 0.0017 Å
• b: 8.1421 ± 0.001 Å
• c: 17.264 ± 0.002 Å
• α: 90°
• β: 101.638 ± 0.002°
• γ: 90°
• Cell volume: 2024.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• 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: 0.0615
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No