Information card for entry 1516988

Structure parameters

• Formula: C17 H16 O6
• Calculated formula: C17 H16 O6
• Title of publication: Calixarene and hemicarcerand-like compounds obtained by self-assembly of 3-aminophenylboronic acid and salicylaldehyde derivatives
• Authors of publication: Victor Barba; Paola Ramos; Danae Jimenez; Abraham Rivera; Ariel Meneses
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 401
• Pages of publication: 30 - 37
• a: 6.787 ± 0.003 Å
• b: 23.691 ± 0.01 Å
• c: 4.5084 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 724.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No