Information card for entry 7158924

Structure parameters

• Chemical name: macrocycle
• Formula: C48 H44 N4 O10
• Calculated formula: C48 H44 N4 O10
• 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: 47.0846 ± 0.0012 Å
• b: 47.0846 ± 0.0012 Å
• c: 10.6294 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 20407.8 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No