Information card for entry 1504492

Structure parameters

• Formula: C19 H24 O5
• Calculated formula: C19 H24 O5
• SMILES: [C@H]1([C@]2([C@@H]([C@@H](c3ccccc13)OC(=O)C(C)C)O2)C)OC(=O)C(C)C.[C@@H]1([C@@]2([C@H]([C@H](c3ccccc13)OC(=O)C(C)C)O2)C)OC(=O)C(C)C
• Title of publication: A biogenetically-inspired synthesis of a ring-D model of kinamycin F: insights into the conformation of ring D.
• Authors of publication: Chen, Nan; Carrière, Marjolaine B; Laufer, Radoslaw S.; Taylor, Nicholas J.; Dmitrienko, Gary I.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 381 - 384
• a: 9.2389 ± 0.0008 Å
• b: 10.048 ± 0.0009 Å
• c: 10.7755 ± 0.0009 Å
• α: 110.302 ± 0.002°
• β: 97.268 ± 0.002°
• γ: 106.443 ± 0.002°
• Cell volume: 871.27 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No