Information card for entry 2201635

Structure parameters

• Chemical name: trans-2-(2-Naphthyl)-3-(phenylselenyl)tetrahydropyran
• Formula: C21 H20 O Se
• Calculated formula: C21 H20 O Se
• SMILES: [Se]([C@@H]1[C@H](OCCC1)c1cc2c(cc1)cccc2)c1ccccc1
• Title of publication: <i>trans</i>-2-(2-Naphthyl)-3-(phenylselenyl)tetrahydropyran
• Authors of publication: Rickard, Clifton E. F.; Brimble, Margaret A.; Pavia, Gabrielle; Stevenson, Ralph J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: o931 - o932
• a: 8.1766 ± 0.0002 Å
• b: 8.8854 ± 0.0002 Å
• c: 23.0888 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1677.46 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.029
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes