Information card for entry 7203936

Structure parameters

• Common name: Kendomycin
• Formula: C29 H42 O6
• Calculated formula: C29 H42 O6
• SMILES: O1[C@H]2C3=C(O)C(=O)C(=C4O[C@](O)(C=C34)[C@@H](C)C[C@@H](CC(=C[C@H](CC[C@@H]1[C@@H]([C@@H]([C@H]2C)O)C)C)C)C)C
• Title of publication: Structure and biosynthesis of kendomycin, a carbocyclic ansa-compound from Streptomyces
• Authors of publication: Bode, Helge B.; Zeeck, Axel
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 3
• Pages of publication: 323
• a: 10.032 ± 0.002 Å
• b: 10.9 ± 0.002 Å
• c: 24.779 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2709.6 ± 0.9 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 3
• 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: 0.0655
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No