Information card for entry 7129216

Structure parameters

• Formula: C33 H27 N O5
• Calculated formula: C33 H27 N O5
• SMILES: O=C1OCCOCCOc2cc(c3ncccc3c2c2c3ccccc3ccc2)CC1C(=O)c1ccccc1
• Title of publication: Rh(III)-Catalyzed Mild Straightforward Synthesis of Quinoline-Braced Cyclophane Macrocycles via Migratory Insertion
• Authors of publication: Ghosh, Bidhan; Bera, Satabdi; Ghosh, Pintu; Samanta, Rajarshi
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 8.649 ± 0.004 Å
• b: 11.578 ± 0.005 Å
• c: 13.602 ± 0.007 Å
• α: 89.58 ± 0.05°
• β: 77.17 ± 0.03°
• γ: 77.71 ± 0.04°
• Cell volume: 1296.5 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.2485
• Residual factor for significantly intense reflections: 0.0993
• Weighted residual factors for significantly intense reflections: 0.2207
• Weighted residual factors for all reflections included in the refinement: 0.3292
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No