Information card for entry 7005789

Structure parameters

• Formula: C26 H35 Cl I3 P3
• Calculated formula: C26 H35 Cl I3 P3
• SMILES: I[I-]I.ClP12=P(c3cccc4cc5cccc([P+]1(C(C)C)C(C)C)c5c2c34)(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: 11.026 ± 0.002 Å
• b: 11.026 ± 0.002 Å
• c: 25.56 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3107.4 ± 0.9 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No