Information card for entry 4104369

Structure parameters

• Formula: C45 H28 Cl0 N2 O0
• Calculated formula: C45 H28 N2
• SMILES: n1c2c(c3ccccc3)ccc(c2nc2c1c1ccccc1C1(c3ccccc23)c2ccccc2c2ccccc12)c1ccccc1
• Title of publication: Emission Mechanism of Doublyortho-Linked Quinoxaline/Diphenylfluorene or cis-Stilbene/Fluorene Hybrid Compounds Based on the Transient Absorption and Emission Measurements during Pulse Radiolysis
• Authors of publication: Yi Wei; Shingo Samori; Sachiko Tojo; Mamoru Fujitsuka; Jin-Sheng Lin; Chien-Tien Chen; Tetsuro Majima
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 6698 - 6707
• a: 11.68 ± 0.0002 Å
• b: 17.471 ± 0.0004 Å
• c: 19.385 ± 0.0005 Å
• α: 69.482 ± 0.001°
• β: 74.174 ± 0.001°
• γ: 89.58 ± 0.001°
• Cell volume: 3547.21 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1724
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.2038
• Weighted residual factors for all reflections included in the refinement: 0.2567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No