Information card for entry 4077684

Structure parameters

• Formula: C19 H15 Bi O4 S
• Calculated formula: C19 H15 Bi O4 S
• SMILES: [Bi]1(Oc2c(OC)cccc2)c2c(S(=O)(=O)c3c1cccc3)cccc2
• Title of publication: Structural Characteristics of Aryloxybismuthanes Stabilized by Hypervalent Bond Formation. Synthesis, Incorporation of 4-Methoxyphenol through Hydrogen Bonding, and Crystal Supramolecularity
• Authors of publication: Murafuji, Toshihiro; Nagasue, Masahiro; Tashiro, Yoshihiro; Sugihara, Yoshikazu; Azuma, Nagao
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 6
• Pages of publication: 1003
• a: 10.864 ± 0.002 Å
• b: 11.46 ± 0.003 Å
• c: 8.481 ± 0.002 Å
• α: 109.37 ± 0.01°
• β: 110.76 ± 0.01°
• γ: 97.5 ± 0.01°
• Cell volume: 893.9 ± 0.4 ų
• Cell temperature: 298.2 K
• Ambient diffraction temperature: 298.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.035
• RFsqd: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.6317
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No