Information card for entry 4023476

Structure parameters

• Formula: C10 H17 F N2 O
• Calculated formula: C10 H17 F N2 O
• SMILES: Fc1c(n(nc1)C)C(O)C(CC)CC
• Title of publication: Reaction of N-Methyl-5-tributylstannyl-4-fluoro-1H-pyrazole and its Application to N-Methyl-chromeno[2,3-d]pyrazol-9-one Synthesis
• Authors of publication: Takeshi Hanamoto; Eri Hashimoto; Masayuki Miura; Hiroshi Furuno; Junji Inanaga
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 4736 - 4739
• a: 7.539 ± 0.004 Å
• b: 10.017 ± 0.005 Å
• c: 14.621 ± 0.009 Å
• α: 90°
• β: 91.27 ± 0.02°
• γ: 90°
• Cell volume: 1103.9 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No