Information card for entry 4020009

Structure parameters

• Formula: C14 H14 N2 O
• Calculated formula: C14 H14 N2 O
• Authors of publication: Sébastien Schoumacker; Olivier Hamelin; Sébastien Téti; Jacques Pécaut; Marc Fontecave
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 301 - 308
• a: 15.139 ± 0.003 Å
• b: 7.9773 ± 0.0016 Å
• c: 10.163 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1227.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No