Information card for entry 7005785

Structure parameters

• Formula: C30 H47 N2 P3
• Calculated formula: C30 H47 N2 P3
• SMILES: c1(cccc2cc3cccc(c3c(c12)P(N(C)C)N(C)C)P(C(C)C)C(C)C)P(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: 16.7477 ± 0.0009 Å
• b: 16.8248 ± 0.0009 Å
• c: 43.026 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12123.7 ± 1.1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1082
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.1643
• Weighted residual factors for all reflections included in the refinement: 0.1742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No