Information card for entry 7232607

Structure parameters

• Formula: C26 H26 B2 N2 O10
• Calculated formula: C26 H26 B2 N2 O10
• Title of publication: Supramolecular zwitterions based on a novel boronic acid‒squarate dianion synthon
• Authors of publication: Fornasari, Luca; d'Agostino, Simone; Braga, Dario
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 20
• Pages of publication: 3186
• a: 3.9208 ± 0.0004 Å
• b: 10.445 ± 0.0009 Å
• c: 29.717 ± 0.003 Å
• α: 90°
• β: 90.34 ± 0.009°
• γ: 90°
• Cell volume: 1217 ± 0.2 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 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: 0.0895
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No