Information card for entry 1544792

Structure parameters

• Chemical name: 1,4-Bis{5-[bis(propan-2-yloxy)phosphoryl]thiophen-2-yl}-2,5-dipropoxybenzene
• Formula: C32 H48 O8 P2 S2
• Calculated formula: C32 H48 O8 P2 S2
• SMILES: s1c(c2cc(OCCC)c(cc2OCCC)c2sc(P(=O)(OC(C)C)OC(C)C)cc2)ccc1P(OC(C)C)(OC(C)C)=O
• Title of publication: 1,4-Bis{5-[bis(propan-2-yloxy)phosphoryl]thiophen-2-yl}-2,5-dipropoxybenzene
• Authors of publication: Detert, Heiner; Schollmeyer, Dieter
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 12
• Pages of publication: x161963
• a: 13.6507 ± 0.0008 Å
• b: 18.8828 ± 0.0011 Å
• c: 14.5033 ± 0.0008 Å
• α: 90°
• β: 103.279 ± 0.005°
• γ: 90°
• Cell volume: 3638.5 ± 0.4 ų
• Cell temperature: 248 ± 2 K
• Ambient diffraction temperature: 248 ± 2 K
• Number of distinct elements: 5
• 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: 0.2121
• Residual factor for significantly intense reflections: 0.0914
• Weighted residual factors for significantly intense reflections: 0.2383
• Weighted residual factors for all reflections included in the refinement: 0.3037
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes