Information card for entry 7118086

Structure parameters

• Formula: C18 H17 N
• Calculated formula: C18 H17 N
• SMILES: N1=CC2(c3c1cccc3)CCCc1cccc(c21)C
• Title of publication: Palladium-catalyzed dearomative cyclization by a norbornene-mediated sequence: a route to spiroindolenine derivatives
• Authors of publication: Xin-Xing Wu; Yi Shen; Wen-Long Chen; Si Chen; Peng-Fei Xu; Yong-Min Liang
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 16798
• a: 7.7592 ± 0.0008 Å
• b: 21.8617 ± 0.0017 Å
• c: 8.2702 ± 0.0008 Å
• α: 90°
• β: 113.794 ± 0.012°
• γ: 90°
• Cell volume: 1283.6 ± 0.2 ų
• Cell temperature: 294.76 ± 0.1 K
• Ambient diffraction temperature: 294.76 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0512
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No