Information card for entry 1505383

Structure parameters

• Formula: C23 H22 N2 O8
• Calculated formula: C23 H22 N2 O8
• SMILES: N(=O)(=O)c1cc(C(=O)O[C@@H]2C/C=C/C(=O)O[C@@H](C)CCCc3ccccc23)cc(N(=O)=O)c1.N(=O)(=O)c1cc(C(=O)O[C@H]2C/C=C/C(=O)O[C@H](C)CCCc3ccccc23)cc(N(=O)=O)c1
• Title of publication: Application of the intramolecular Yamamoto vinylogous aldol reaction to the synthesis of macrolides.
• Authors of publication: Abramite, Joseph A.; Sammakia, Tarek
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 2103 - 2106
• a: 7.1901 ± 0.0003 Å
• b: 16.9644 ± 0.0006 Å
• c: 18.5261 ± 0.0007 Å
• α: 78.899 ± 0.001°
• β: 79.339 ± 0.001°
• γ: 83.573 ± 0.001°
• Cell volume: 2172.34 ± 0.14 ų
• Cell temperature: 144 ± 2 K
• Ambient diffraction temperature: 144 ± 2 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: 0.1238
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.1966
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No