Information card for entry 1542624

Structure parameters

• Formula: C30 H29 N3 O5
• Calculated formula: C30 H29 N3 O5
• SMILES: O=C(c1c(C)cccc1)[C@@H]1N(N=C(OCC)[C@@]21c1ccccc1N(C2=O)Cc1ccccc1)C(=O)OCC.O=C(c1c(C)cccc1)[C@H]1N(N=C(OCC)[C@]21c1ccccc1N(C2=O)Cc1ccccc1)C(=O)OCC
• 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: 10.485 ± 0.0002 Å
• b: 10.4852 ± 0.0002 Å
• c: 13.306 ± 0.0003 Å
• α: 79.14 ± 0.03°
• β: 67.26 ± 0.03°
• γ: 76.51 ± 0.03°
• Cell volume: 1304 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No