Information card for entry 4021817

Structure parameters

• Formula: C16 H11 N O3 Se
• Calculated formula: C16 H11 N O3 Se
• 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: 13.592 ± 0.003 Å
• b: 14.685 ± 0.003 Å
• c: 7.444 ± 0.001 Å
• α: 102.74 ± 0.02°
• β: 98.73 ± 0.02°
• γ: 71.54 ± 0.02°
• Cell volume: 1369.3 ± 0.5 ų
• Cell temperature: 292.2 K
• Ambient diffraction temperature: 292.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0307
• Goodness-of-fit parameter for significantly intense reflections: 1.528
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No