Information card for entry 7127702

Structure parameters

• Formula: C24 H25 As O4
• Calculated formula: C24 H25 As O4
• SMILES: [As]1(c2ccccc2OCCOCCOCCOc2ccccc12)c1ccccc1
• Title of publication: Dibenzoarsacrowns: an experimental and computational study on the coordination behaviors.
• Authors of publication: Sumida, Akifumi; Kobayashi, Ryosuke; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 16
• Pages of publication: 2013 - 2016
• a: 12.303 ± 0.002 Å
• b: 20.735 ± 0.002 Å
• c: 9.1248 ± 0.0013 Å
• α: 90°
• β: 110.263 ± 0.006°
• γ: 90°
• Cell volume: 2183.7 ± 0.5 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0384
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No