Information card for entry 7121360

Structure parameters

• Formula: C109 H93 Cl15
• Calculated formula: C109 H93 Cl15
• 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: 11.3561 ± 0.001 Å
• b: 27.561 ± 0.003 Å
• c: 31.571 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9881.3 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.113
• Residual factor for significantly intense reflections: 0.1095
• Weighted residual factors for significantly intense reflections: 0.3178
• Weighted residual factors for all reflections included in the refinement: 0.3233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.588
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No