Information card for entry 7107574

Structure parameters

• Formula: C18 H15 N O4
• Calculated formula: C18 H15 N O4
• SMILES: C1(=O)c2c(C(C(=C(C(=O)OC)N1)c1ccccc1)O)cccc2
• Title of publication: Anionic [4+3] heteroannulation of 2-azidoacrylates: A direct synthesis of 2-benzazepin-1-ones
• Authors of publication: Bidyut Kumar Dinda; Amit Kumar Jana; Dipakranjan Mal
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3999
• a: 7.7053 ± 0.0012 Å
• b: 18.113 ± 0.003 Å
• c: 10.6268 ± 0.0017 Å
• α: 90°
• β: 95.382 ± 0.005°
• γ: 90°
• Cell volume: 1476.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0665
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No