Information card for entry 4105664

Structure parameters

• Formula: C28 H25 N3
• Calculated formula: C28 H25 N3
• SMILES: N1(N(C2N(CCc3c2cccc3)c2ccccc2C1)c1ccccc1)c1ccccc1
• Title of publication: Redox-Neutral Indole Annulation Cascades
• Authors of publication: Michael C. Haibach; Indubhusan Deb; Chandra Kanta De; Daniel Seidel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 2100 - 2103
• a: 13.0601 ± 0.0009 Å
• b: 19.0376 ± 0.0013 Å
• c: 8.2253 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2045.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No