Information card for entry 7156370

Structure parameters

• Formula: C28 H28 N2 O4.06
• Calculated formula: C28 H28 N2 O4.0647
• Title of publication: Molecular tweezers with a rotationally restricted linker and freely rotating porphyrin moieties.
• Authors of publication: Murphy, Rhys B.; Pham, Duc-Truc; White, Jonathan M.; Lincoln, Stephen F.; Johnston, Martin R.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 34
• Pages of publication: 6206 - 6223
• a: 10.5365 ± 0.0013 Å
• b: 10.715 ± 0.0009 Å
• c: 11.866 ± 0.002 Å
• α: 64.644 ± 0.013°
• β: 70.132 ± 0.014°
• γ: 77.884 ± 0.009°
• Cell volume: 1135.3 ± 0.3 ų
• Cell temperature: 130 ± 0.1 K
• Ambient diffraction temperature: 130 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No