Information card for entry 2007294

Structure parameters

• Formula: C16 H14 N2 O
• Calculated formula: C16 H14 N2 O
• SMILES: c12c(cccc1)N(c1c(O2)cccc1)C(C)(C)C#N
• Title of publication: 2-Methyl-2-(10-phenoxazinyl)propiononitrile
• Authors of publication: Gigmes, Didier; Siri, Didier; Reboul, Jean-Pierre; Redouane, Nourredine; Tordo, Paul; Pèpe, Gerard
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 822 - 824
• a: 25.281 ± 0.004 Å
• b: 6.741 ± 0.001 Å
• c: 15.559 ± 0.003 Å
• α: 90°
• β: 101.92 ± 0.03°
• γ: 90°
• Cell volume: 2594.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.0893
• Goodness-of-fit parameter for all reflections: 0.961
• Goodness-of-fit parameter for significantly intense reflections: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No