Information card for entry 4025792

Structure parameters

• Formula: C12 H11 N O2
• Calculated formula: C12 H11 N O2
• Title of publication: Platinum-Catalyzed, One-Pot Tandem Synthesis of Indoles and Isoquinolines via Sequential Rearrangement of Amides and Aminocyclization
• Authors of publication: Noriko Okamoto; Kei Takeda; Reiko Yanada
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 7615 - 7625
• a: 9.867 ± 0.008 Å
• b: 8.666 ± 0.006 Å
• c: 11.827 ± 0.012 Å
• α: 90°
• β: 94.43 ± 0.04°
• γ: 90°
• Cell volume: 1008.3 ± 1.5 ų
• Cell temperature: 296.1 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 significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoK'a
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No