Information card for entry 7006773

Structure parameters

• Formula: C47 H42 O4 P2
• Calculated formula: C47 H42 O4 P2
• SMILES: P1(c2cc(cc3C(CC4(Oc23)Oc2c(C(C4)(C)C)cc(cc2P2c3c(Oc4c2cccc4)cccc3)C)(C)C)C)c2ccccc2Oc2ccccc12
• 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: 11.764 ± 0.0005 Å
• b: 24.9675 ± 0.0011 Å
• c: 12.5726 ± 0.0006 Å
• α: 90°
• β: 96.955 ± 0.001°
• γ: 90°
• Cell volume: 3665.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0507
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No