Information card for entry 7104471

Structure parameters

• Formula: C7 H9 N O
• Calculated formula: C7 H9 N O
• SMILES: Oc1cncc(c1C)C
• Title of publication: Synthesis of substituted pyridines and pyridazines via ring closing metathesis.
• Authors of publication: Donohoe, Timothy J; Fishlock, Lisa P; Basutto, José A; Bower, John F; Procopiou, Panayiotis A; Thompson, Amber L
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 21
• Pages of publication: 3008 - 3010
• a: 11.4066 ± 0.0002 Å
• b: 26.5824 ± 0.0006 Å
• c: 8.5029 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2578.21 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for all reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No