Information card for entry 4025793

Structure parameters

• Formula: C24 H22 N2 O4
• Calculated formula: C24 H22 N2 O4
• 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: 15.149 ± 0.012 Å
• b: 5.442 ± 0.006 Å
• c: 24.33 ± 0.02 Å
• α: 90°
• β: 99.7 ± 0.03°
• γ: 90°
• Cell volume: 1977 ± 3 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for all reflections included in the refinement: 0.0471
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoK'a
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No