Information card for entry 1542626

Structure parameters

• Formula: C29 H27 N3 O5
• Calculated formula: C29 H27 N3 O5
• SMILES: O=C1N(c2c3C1=CC(N(c3ccc2)C(=O)OCC)(NC(=O)OCC)c1ccccc1)Cc1ccccc1
• Title of publication: Annulation Reaction of 3-Acylmethylidene Oxindoles with Huisgen Zwitterions and Its Applications in the Syntheses of Pyrrolo[4,3,2-de]quinolinones and Marine Alkaloids Ammosamides.
• Authors of publication: Yang, Changjiang; Chen, Xiangyu; Tang, Tong; He, Zhengjie
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 6
• Pages of publication: 1486 - 1489
• a: 13.4022 ± 0.0009 Å
• b: 10.939 ± 0.0006 Å
• c: 16.5069 ± 0.0011 Å
• α: 90°
• β: 91.481 ± 0.004°
• γ: 90°
• Cell volume: 2419.2 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0681
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No