Information card for entry 1514510

Structure parameters

• Formula: C23 H21 N O6
• Calculated formula: C23 H21 N O6
• SMILES: O=N(=O)c1ccc(cc1)C(=O)OC[C@H]1[C@H](O[C@@]2(C=CC(=O)C[C@H]12)C)c1ccccc1
• Title of publication: Enantioselective synthesis of hindered cyclic dialkyl ethers via catalytic oxa-Michael/Michael desymmetrization.
• Authors of publication: Corbett, Michael T.; Johnson, Jeffrey S.
• Journal of publication: Chemical science (Royal Society of Chemistry : 2010)
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 7
• Pages of publication: 2828 - 2832
• a: 16.5029 ± 0.0002 Å
• b: 7.0004 ± 0.0001 Å
• c: 17.5337 ± 0.0002 Å
• α: 90°
• β: 103.817 ± 0.001°
• γ: 90°
• Cell volume: 1967 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0304
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No