Information card for entry 1554096

Structure parameters

• Formula: C26 H23 Br N2 O4
• Calculated formula: C26 H23 Br N2 O4
• SMILES: Brc1ccc([C@@H]2N(c3ccccc3)C(=C(CN2c2ccccc2)C(=O)OC)C(=O)OC)cc1
• Title of publication: Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers
• Authors of publication: Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2017
• Journal volume: 121
• Journal issue: 45
• Pages of publication: 25503
• a: 11.3983 ± 0.0004 Å
• b: 11.3983 ± 0.0004 Å
• c: 36.807 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4782 ± 0.5 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No