Information card for entry 1540623

Structure parameters

• Common name: t-butyl pyridine indenone
• Chemical name: 1-(t-butyl)-3-methyl-9H-indeno[2,1-c]pyridin-9-one
• Formula: C17 H17 N O
• Calculated formula: C17 H17 N O
• SMILES: O=C1c2c(nc(cc2c2c1cccc2)C)C(C)(C)C
• Title of publication: Auto-Tandem Palladium Catalysis: From Isoxazole to 2-Azafluorenone.
• Authors of publication: Das, Sajal; Hong, Dongsub; Chen, Zhiwei; She, Zhigang; Hersh, William H.; Subramaniam, Gopal; Chen, Yu
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 22
• Pages of publication: 5578 - 5581
• a: 17.598 ± 0.006 Å
• b: 6.875 ± 0.002 Å
• c: 10.631 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1286.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No