Information card for entry 2208659

Structure parameters

• Common name: 5,6-dihydro-4H-1,3-selenazine
• Chemical name: 4-Hydroxy-4-methyl-6-phenyl-2-p-tolyl-5,6-dihydro-4H-1,3-selenazine
• Formula: C18 H19 N O Se
• Calculated formula: C18 H19 N O Se
• SMILES: [Se]1C(=N[C@](C[C@@H]1c1ccccc1)(O)C)c1ccc(cc1)C.[Se]1C(=N[C@@](C[C@H]1c1ccccc1)(O)C)c1ccc(cc1)C
• Title of publication: 4-Hydroxy-4-methyl-6-phenyl-2-<i>p</i>-tolyl-5,6-dihydro-4<i>H</i>-1,3-selenazine
• Authors of publication: Koketsu, Mamoru; Ebihara, Masahiro; Ishihara, Hideharu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1347 - o1349
• a: 18.0846 ± 0.001 Å
• b: 16.9821 ± 0.001 Å
• c: 10.8354 ± 0.001 Å
• α: 90°
• β: 103.19 ± 0.01°
• γ: 90°
• Cell volume: 3239.9 ± 0.4 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.0424
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes