Information card for entry 7006772

Structure parameters

• Formula: C35 H54 O2 P2
• Calculated formula: C35 H54 O2 P2
• SMILES: P(c1cc(cc2C(CC3(Oc12)Oc1c(C(C3)(C)C)cc(cc1P(C(C)C)C(C)C)C)(C)C)C)(C(C)C)C(C)C
• Title of publication: SPANphos: trans-spanning diphosphines as cis chelating ligands!
• Authors of publication: Jiménez-Rodríguez, Cristina; Roca, Francesc X.; Bo, Carles; Benet-Buchholz, Jordi; Escudero-Adán, Eduardo C; Freixa, Zoraida; van Leeuwen, Piet W. N. M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 1
• Pages of publication: 268 - 278
• a: 10.8544 ± 0.001 Å
• b: 11.1005 ± 0.0011 Å
• c: 15.1731 ± 0.0015 Å
• α: 85.28 ± 0.002°
• β: 89.538 ± 0.002°
• γ: 63.872 ± 0.002°
• Cell volume: 1635 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1668
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No