Information card for entry 1556896

Structure parameters

• Chemical name: 6,6'-[(3,3'-Di-<i>tert</i>-butyl-5,5'-dimethoxy-1,1'-biphenyl-2,2'-diyl)bis(oxy)]bis(dibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine) benzene monosolvate
• Formula: C52 H50 O8 P2
• Calculated formula: C52 H50 O8 P2
• SMILES: c1(c(cc(cc1c1cc(cc(c1OP1Oc2ccccc2c2ccccc2O1)C(C)(C)C)OC)OC)C(C)(C)C)OP1Oc2ccccc2c2ccccc2O1.c1ccccc1
• Title of publication: 6,6'-[(3,3'-Di-<i>tert</i>-butyl-5,5'-dimethoxy-1,1'-biphenyl-2,2'-diyl)bis(oxy)]bis(dibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine) benzene monosolvate
• Authors of publication: Leidecker, Benedict N.; Kubis, Christoph; Spannenberg, Anke; Franke, Robert; Börner, Armin
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 12
• Pages of publication: x191636
• a: 25.1072 ± 0.0005 Å
• b: 8.8634 ± 0.0002 Å
• c: 21.3401 ± 0.0004 Å
• α: 90°
• β: 112.444 ± 0.0012°
• γ: 90°
• Cell volume: 4389.2 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0619
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes