Information card for entry 7106659

Structure parameters

• Formula: C27 H25 N
• Calculated formula: C27 H25 N
• SMILES: c1cccc2c1n1c(c2)/C(=C(\c2ccc(C)cc2)CCC)c2ccccc2C1
• Title of publication: Tandem indole C-H alkenylation/arylation for tetra-substituted alkene synthesis
• Authors of publication: Laura Lopez-Suarez; Michael F. Greaney
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 7992
• a: 35.1976 ± 0.0008 Å
• b: 5.64047 ± 0.00014 Å
• c: 19.7426 ± 0.0004 Å
• α: 90°
• β: 93.899 ± 0.002°
• γ: 90°
• Cell volume: 3910.45 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No