Information card for entry 7155925

Structure parameters

• Chemical name: 4-(4-bromo[2.2]paracyclophan-5-yldiazenyl)morpholine
• Formula: C20 H22 Br N3 O
• Calculated formula: C20 H22 Br N3 O
• SMILES: Brc1c2CCc3ccc(CCc(c1/N=N/N1CCOCC1)cc2)cc3
• Title of publication: The synthesis of planar chiral pseudo-gem aminophosphine pre-ligands based on [2.2]paracyclophane
• Authors of publication: Rowlands, Gareth J.; Jayasundera, Krishanthi P.; Engels, Tim G. W.; Lun, David J.; Mungalpara, Maulik N.; Plieger, Paul
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 7.368 ± 0.003 Å
• b: 10.812 ± 0.003 Å
• c: 22.597 ± 0.005 Å
• α: 90°
• β: 95.146 ± 0.017°
• γ: 90°
• Cell volume: 1792.9 ± 1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No