Information card for entry 4022890

Structure parameters

• Formula: C39 H34 Br2 Cl2 N4 O3.5
• Calculated formula: C39 H34 Br2 Cl2 N4 O3.5
• Title of publication: Interaction of β-Lactam Carbenes with Aryl Isonitriles: An Unprecedented Rearrangement of 2-Azetidinonylidene Indoles to δ-Carbolinones
• Authors of publication: Ying Cheng; Lan-Qing Cheng
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 2625 - 2630
• a: 8.9918 ± 0.0014 Å
• b: 16.947 ± 0.003 Å
• c: 24.121 ± 0.004 Å
• α: 90°
• β: 96.109 ± 0.002°
• γ: 90°
• Cell volume: 3654.8 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• 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: 0.0689
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No