Information card for entry 1508738

Structure parameters

• Formula: C22 H24 N2 O8
• Calculated formula: C22 H24 N2 O8
• SMILES: O1N(C[C@@H]([C@]2(CN(OC[C@@H]12)C(=O)OCc1ccccc1)O)O)C(=O)OCc1ccccc1.O1N(C[C@H]([C@@]2(CN(OC[C@H]12)C(=O)OCc1ccccc1)O)O)C(=O)OCc1ccccc1
• Title of publication: Nitroso-dienophile additions to dendralenes: a short synthesis of branched aminosugars.
• Authors of publication: Wang, Ruomeng; Bojase, Gomotsang; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 22
• Pages of publication: 5652 - 5655
• a: 6.1903 ± 0.0002 Å
• b: 11.0001 ± 0.0005 Å
• c: 16.5975 ± 0.0007 Å
• α: 71.3193 ± 0.0019°
• β: 81.706 ± 0.003°
• γ: 75.698 ± 0.003°
• Cell volume: 1034.85 ± 0.07 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0871
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections: 0.1304
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No