Information card for entry 7006774

Structure parameters

• Formula: C39 H62 O2 P2
• Calculated formula: C39 H62 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)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: 39.0066 ± 0.0013 Å
• b: 11.648 ± 0.0005 Å
• c: 16.9525 ± 0.0006 Å
• α: 90°
• β: 101.88 ± 0.001°
• γ: 90°
• Cell volume: 7537.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No