Information card for entry 1555953

Structure parameters

• Formula: C30 H27 N3 O3
• Calculated formula: C30 H27 N3 O3
• SMILES: c12c(cccc1)[C@H]([C@@H](C(=O)O2)CCN(c1ccccc1)c1ccccc1)NNC(=O)c1ccccc1.c12c(cccc1)[C@@H]([C@H](C(=O)O2)CCN(c1ccccc1)c1ccccc1)NNC(=O)c1ccccc1
• Title of publication: Synthesis of Hydrazide-Containing Chroman-2-ones and Dihydroquinolin-2-ones via Photocatalytic Radical Cascade Reaction of Aroylhydrozones.
• Authors of publication: Zhao, Yu; Chen, Jia-Rong; Xiao, Wen-Jing
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 24
• Pages of publication: 6304 - 6307
• a: 14.279 ± 0.002 Å
• b: 20.305 ± 0.004 Å
• c: 9.8589 ± 0.0017 Å
• α: 90°
• β: 119.294 ± 0.002°
• γ: 90°
• Cell volume: 2492.9 ± 0.7 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No