Information card for entry 7130727

Structure parameters

• Formula: C23 H22 N2 O
• Calculated formula: C23 H22 N2 O
• SMILES: O(c1ccc(NCCc2c(cccc2)Cc2ccc(C#N)cc2)cc1)C
• Title of publication: Quantum dot gels as efficient and unique photocatalysts for organic synthesis
• Authors of publication: Liu, Daohua; Nyakuchena, James; Maity, Rajendra; Geng, Xin; Mahajan, Jyoti P.; Hewa-Rahinduwage, Chathurange C.; Peng, Yi; Huang, Jier; Luo, Long
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 9.79 ± 0.0003 Å
• b: 16.4804 ± 0.0005 Å
• c: 11.3323 ± 0.0003 Å
• α: 90°
• β: 101.557 ± 0.001°
• γ: 90°
• Cell volume: 1791.32 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0354
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No