Information card for entry 7109952

Structure parameters

• Formula: C32 H21 N3
• Calculated formula: C32 H21 N3
• SMILES: c12ccccc1c1ccccc1n2c1ccc(cc1)c1nc(c2ccccc2)c2ccccc2n1
• Title of publication: A novel approach towards white photoluminescence and electroluminescence by controlled protonation of a blue fluorophore
• Authors of publication: Dong Liu; Zhenyu Zhang; Hongyu Zhang; Yue Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 10001
• a: 8.3887 ± 0.0017 Å
• b: 8.7163 ± 0.0017 Å
• c: 16.596 ± 0.003 Å
• α: 85.72 ± 0.03°
• β: 78.58 ± 0.03°
• γ: 75.7 ± 0.03°
• Cell volume: 1152.2 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1206
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No