Information card for entry 1542625

Structure parameters

• Formula: C23 H16 N2 O
• Calculated formula: C23 H16 N2 O
• SMILES: O=C1N(c2cccc3nc(c4ccccc4)cc1c23)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: 5.5058 ± 0.0011 Å
• b: 26.046 ± 0.007 Å
• c: 11.867 ± 0.002 Å
• α: 90°
• β: 97.83 ± 0.03°
• γ: 90°
• Cell volume: 1685.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No