Information card for entry 7158923

Structure parameters

• Chemical name: model
• Formula: C28 H24 N2 O5
• Calculated formula: C28 H24 N2 O5
• Title of publication: Noncooperative guest binding by metal-free [2 + 2] Schiff-base macrocycles
• Authors of publication: Chaudhry, Mohammad T.; Patrick, Brian O.; Akine, Shigehisa; MacLachlan, Mark J.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 7.4851 ± 0.0002 Å
• b: 11.8514 ± 0.0003 Å
• c: 25.8916 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2296.82 ± 0.12 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No