Information card for entry 7005788

Structure parameters

• Formula: C26 H35 O P3 Se2
• Calculated formula: C26 H35 O P3 Se2
• SMILES: [Se]=P(c1cccc2cc3cccc4c3c(c12)P([O-])([P+]4(C(C)C)C(C)C)=[Se])(C(C)C)C(C)C
• Title of publication: 1,8,9-Substituted anthracenes, intramolecular phosphine donor stabilized metaphosphonate and phosphenium.
• Authors of publication: Kilian, Petr; Slawin, Alexandra M. Z.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 30
• Pages of publication: 3289 - 3296
• a: 8.8828 ± 0.0014 Å
• b: 21.658 ± 0.003 Å
• c: 14.892 ± 0.002 Å
• α: 90°
• β: 106.566 ± 0.004°
• γ: 90°
• Cell volume: 2746.1 ± 0.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No