Information card for entry 2217255

Structure parameters

• Chemical name: 1,5,6-Triphenyl-8-oxa-7-selena-6-phosphabicyclo[3.2.1]octane-6-selone
• Formula: C23 H21 O P Se2
• Calculated formula: C23 H21 O P Se2
• SMILES: c1c([P@]2([Se][C@]3(O[C@]2(c2ccccc2)CCC3)c2ccccc2)=[Se])cccc1.c1c([P@@]2([Se][C@@]3(O[C@@]2(c2ccccc2)CCC3)c2ccccc2)=[Se])cccc1
• Title of publication: 1,5,6-Triphenyl-8-oxa-7-selena-6-phosphabicyclo[3.2.1]octane-6-selone
• Authors of publication: Hua, Guoxiong; Li, Yang; Slawin, Alexandra M Z; Woollins, J Derek
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o184 - o184
• a: 7.6802 ± 0.0009 Å
• b: 9.0613 ± 0.0012 Å
• c: 14.907 ± 0.0016 Å
• α: 84.949 ± 0.008°
• β: 75.677 ± 0.007°
• γ: 89.266 ± 0.008°
• Cell volume: 1001.2 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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 all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes