Information card for entry 7151953

Structure parameters

• Chemical name: (6R)-2,6-anhydro-4-O-[tert-butyl(dimethyl)silyl]-3-deoxy -1-(methoxyamino)-3-(methoxycarbonyl)-5-O-(methoxymethyl) -5-C-methyl-6-pentyl-L-reythro-hex-2-enose
• Formula: C23 H43 N O8 Si
• Calculated formula: C23 H43 N O8 Si
• SMILES: [Si](O[C@@H]1C(=C(O[C@@H]([C@@]1(OCOC)C)CCCCC)C(=O)NOC)C(=O)OC)(C)(C)C(C)(C)C
• Title of publication: Synthesis of the proposed structure of phaeosphaeride A.
• Authors of publication: Kobayashi, Kenichi; Okamoto, Iwao; Morita, Nobuyoshi; Kiyotani, Tamiko; Tamura, Osamu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 16
• Pages of publication: 5825 - 5832
• a: 9.0593 ± 0.0003 Å
• b: 15.3579 ± 0.0005 Å
• c: 19.9706 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2778.55 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No