Information card for entry 7156369

Structure parameters

• Formula: C30 H31 N3 O4
• Calculated formula: C30 H31 N3 O4
• 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: 8.6452 ± 0.0005 Å
• b: 11.1356 ± 0.0005 Å
• c: 15.0205 ± 0.0006 Å
• α: 108.623 ± 0.004°
• β: 91.819 ± 0.004°
• γ: 111.122 ± 0.004°
• Cell volume: 1260.49 ± 0.12 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: 0.0472
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No