Information card for entry 7213165

Structure parameters

• Formula: C21 H24 I N O2
• Calculated formula: C21 H24 I N O2
• SMILES: I[C@@H]1[C@@H](N(Cc2ccccc2)[C@H](C)c2ccccc2)CC(=O)O[C@H]1C
• Title of publication: Syntheses of derivatives of L-daunosamine and its C-3 epimer employing as the key step the asymmetric conjugate addition of a homochiral lithium amide to tert-butyl (E,E )-hexa-2,4-dienoate
• Authors of publication: Davies, Stephen G.; Smyth, G. Darren; Chippindale, Ann M.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 1999
• Journal issue: 21
• Pages of publication: 3089
• a: 11.639 ± 0.004 Å
• b: 6.617 ± 0.004 Å
• c: 13.03 ± 0.008 Å
• α: 90°
• β: 92.439 ± 0.004°
• γ: 90°
• Cell volume: 1002.6 ± 0.9 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0293
• Goodness-of-fit parameter for significantly intense reflections: 1.0983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No