Information card for entry 7120099

Structure parameters

• Formula: C27 H27 N O
• Calculated formula: C27 H27 N O
• SMILES: N(c1ccccc1)C(=O)C1(c2ccccc2)c2ccccc2C2(CCCCC2)C1
• Title of publication: Intermolecular Cascade Annulations of N-(Arysulfonyl)acrylamides with Dual C(sp3)-H Bonds: Divergent Access to Indanes and Pyrrolidin-2-ones
• Authors of publication: Hu, Ming; Guo, Ling-Yu; Han, Ying; Tan, Fang-Lin; Song, Ren-Jie; Li, Jin-Heng
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 13.803 ± 0.004 Å
• b: 14.747 ± 0.005 Å
• c: 21.885 ± 0.007 Å
• α: 90°
• β: 108.236 ± 0.005°
• γ: 90°
• Cell volume: 4231 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1501
• Residual factor for significantly intense reflections: 0.1329
• Weighted residual factors for significantly intense reflections: 0.3425
• Weighted residual factors for all reflections included in the refinement: 0.3549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.423
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No