Information card for entry 7234240

Structure parameters

• Formula: C27 H20 Br Cl N4 O4
• Calculated formula: C27 H20 Br Cl N4 O4
• SMILES: Brc1ccc(cc1)C[n+]1ccc(cc1)c1cc(nc(c1)c1ncccc1)c1ncccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Photo-facilitated aggregation and correlated color temperature adjustment of single component organic solid state white-light emitting materials
• Authors of publication: Cheng Chen; Xu-Hui Jin; Xue-Jun Zhou; Li-Xuan Cai; Ya-Jun Zhang; Jie Zhang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 4563 - 4569
• a: 9.583 ± 0.002 Å
• b: 9.614 ± 0.002 Å
• c: 26.703 ± 0.006 Å
• α: 90°
• β: 100.57 ± 0.007°
• γ: 90°
• Cell volume: 2418.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No