Information card for entry 4124352

Structure parameters

• Formula: C33 H27 N O2
• Calculated formula: C33 H27 N O2
• SMILES: Oc1c2ccccc2ccc1C(=O)/C=C/c1ccc(N(c2ccc(cc2)C)c2ccc(cc2)C)cc1
• Title of publication: Near-Infrared Lasing from Small-Molecule Organic Hemispheres.
• Authors of publication: Wang, Xuedong; Liao, Qing; Li, Hui; Bai, Shuming; Wu, Yishi; Lu, Xiaomei; Hu, Huaiyuan; Shi, Qiang; Fu, Hongbing
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 29
• Pages of publication: 9289 - 9295
• a: 10.002 ± 0.002 Å
• b: 10.071 ± 0.002 Å
• c: 25.105 ± 0.005 Å
• α: 90°
• β: 97.61 ± 0.03°
• γ: 90°
• Cell volume: 2506.6 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1462
• Residual factor for significantly intense reflections: 0.1135
• Weighted residual factors for significantly intense reflections: 0.1978
• Weighted residual factors for all reflections included in the refinement: 0.2113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.329
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No