Information card for entry 4021814

Structure parameters

• Common name: 1a
• Formula: C16 H12 O Se
• Calculated formula: C16 H12 O Se
• SMILES: [Se](=O)(c1cccc2ccccc12)c1ccccc1
• Title of publication: Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~
• Authors of publication: Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 5574 - 5585
• a: 5.3816 ± 0.0018 Å
• b: 8.385 ± 0.003 Å
• c: 27.511 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1241.4 ± 0.7 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0254
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No