Information card for entry 7158925

Structure parameters

• Chemical name: diformyl diphenol ether
• Formula: C14 H10 O5
• Calculated formula: C14 H10 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: 11.2993 ± 0.0015 Å
• b: 14.0697 ± 0.0018 Å
• c: 7.376 ± 0.001 Å
• α: 90°
• β: 101.923 ± 0.004°
• γ: 90°
• Cell volume: 1147.3 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• 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: 0.0502
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No