Information card for entry 1530389

Structure parameters

• Formula: C17 H16 N2 O
• Calculated formula: C17 H16 N2 O
• SMILES: O=C(c1nc2n(c3ccccc3c2c(c1)C)CC=C)C
• Title of publication: Rh-Catalyzed Reactions of 3-Diazoindolin-2-imines: Synthesis of Pyridoindoles and Tetrahydrofuropyrroloindoles.
• Authors of publication: Wang, Chen; Zhang, Haojie; Lang, Bo; Ren, Anni; Lu, Ping; Wang, Yanguang
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 18
• Pages of publication: 4412 - 4415
• a: 7.6543 ± 0.0009 Å
• b: 11.1582 ± 0.0012 Å
• c: 16.8881 ± 0.0016 Å
• α: 90°
• β: 101.198 ± 0.011°
• γ: 90°
• Cell volume: 1414.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No