Information card for entry 7103522

Structure parameters

• Formula: C24 H28 N2 O4
• Calculated formula: C24 H28 N2 O4
• SMILES: n1c(ccc2CC[C@@H]3OC(O[C@@H]3c12)(C)C)c1nc2c(cc1)CC[C@@H]1OC(O[C@H]21)(C)C
• Title of publication: Azaarene cis-dihydrodiol-derived 2,2'-bipyridine ligands for asymmetric allylic oxidation and cyclopropanation.
• Authors of publication: Boyd, Derek R; Sharma, Narain D; Sbircea, Lenuta; Murphy, Deirdre; Belhocine, Tayeb; Malone, John F; James, Stuart L; Allen, Christopher C R; Hamilton, John T G
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 43
• Pages of publication: 5535 - 5537
• a: 10.103 ± 0.004 Å
• b: 7.746 ± 0.002 Å
• c: 13.929 ± 0.004 Å
• α: 90°
• β: 93.59 ± 0.02°
• γ: 90°
• Cell volume: 1088 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No