Information card for entry 1551162

Structure parameters

• Formula: C26 H30 B N O5 S
• Calculated formula: C26 H30 B N O5 S
• SMILES: [B]12(Oc3cc4ccccc4cc3O1)Oc1cc3c(cc1O2)cccc3.CS(=O)C.[NH3+]C(C)(C)C
• Title of publication: Crystal Structure of Tertiarybutyl Ammonium Bis[(naphthalene-2,3-diolato)borate] Dimethyl Sulfoxide Solvate
• Authors of publication: Tombul, Mustafa
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2019
• Journal volume: 35
• Journal issue: 0
• Pages of publication: 3
• a: 9.6282 ± 0.0009 Å
• b: 11.0221 ± 0.0009 Å
• c: 13.0273 ± 0.0012 Å
• α: 91.05 ± 0.004°
• β: 109.419 ± 0.004°
• γ: 94.574 ± 0.002°
• Cell volume: 1298.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.1924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No