Information card for entry 2206186

Structure parameters

• Formula: C11 H9 N3 O
• Calculated formula: C11 H9 N3 O
• Title of publication: 2-Dicyanomethylene-4,5,5-trimethyl-2,5-dihydrofuran-3-carbonitrile
• Authors of publication: Li, Su-Yue; Song, Yin-Yin; You, Zhong-Lu; Wen, Yan-Wei; Qin, Jin-Gui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2093 - o2095
• a: 9.485 ± 0.002 Å
• b: 6.8022 ± 0.0016 Å
• c: 9.681 ± 0.002 Å
• α: 90°
• β: 118.263 ± 0.003°
• γ: 90°
• Cell volume: 550.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections included in the refinement: 0.2129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No