Information card for entry 1508737

Structure parameters

• Formula: C28 H27 N3 O3
• Calculated formula: C28 H27 N3 O3
• SMILES: O1N(CC(=C2CN(OCC12)c1ccccc1)C1=CCON(C1)c1ccccc1)c1ccccc1
• 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: 9.9709 ± 0.0006 Å
• b: 10.7612 ± 0.0009 Å
• c: 13.1112 ± 0.0011 Å
• α: 105.781 ± 0.003°
• β: 100.075 ± 0.004°
• γ: 115.216 ± 0.004°
• Cell volume: 1154.44 ± 0.17 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: 0.1054
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections: 0.1429
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9562
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No