Information card for entry 1554093

Structure parameters

• Formula: C26 H24 N2 O4
• Calculated formula: C26 H24 N2 O4
• SMILES: O=C(OC)C1=C(C(=O)OC)CN(c2ccccc2)[C@@H](N1c1ccccc1)c1ccccc1
• 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: 9.65062 ± 0.00013 Å
• b: 11.62065 ± 0.00013 Å
• c: 19.4417 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2180.32 ± 0.04 ų
• Cell temperature: 291.25 ± 0.1 K
• Ambient diffraction temperature: 291.25 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0279
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No