Information card for entry 4020865

Structure parameters

• Formula: C27 H20 O Se2
• Calculated formula: C27 H20 O Se2
• Title of publication: Extended Hypervalent 5c-6e Interactions: Linear Alignment of Five C-Se—O—Se-C Atoms in Anthraquinone and 9-Methoxyanthracene Bearing Arylselanyl Groups at the 1,8-Positions
• Authors of publication: Warô Nakanishi; Satoko Hayashi; Norio Itoh
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 1676 - 1684
• a: 10.93 ± 0.003 Å
• b: 13.673 ± 0.004 Å
• c: 8.052 ± 0.002 Å
• α: 96.64 ± 0.02°
• β: 102.2 ± 0.03°
• γ: 106.48 ± 0.02°
• Cell volume: 1107.9 ± 0.6 ų
• Cell temperature: 298.2 K
• Ambient diffraction temperature: 298.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0303
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No