Information card for entry 7232606

Structure parameters

• Formula: C24 H22 B2 N4 O8
• Calculated formula: C24 H22 B2 N4 O8
• 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: 12.3874 ± 0.0006 Å
• b: 10.7643 ± 0.0004 Å
• c: 8.761 ± 0.0004 Å
• α: 90°
• β: 98.765 ± 0.005°
• γ: 90°
• Cell volume: 1154.56 ± 0.09 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No