Information card for entry 7216878

Structure parameters

• Common name: mpc
• Chemical name: Macrosphelide C
• Formula: C16 H22 O7
• Calculated formula: C16 H22 O7
• SMILES: C1(=O)C[C@@H](OC(=O)C=CC[C@@H](OC(=O)C=C[C@@H](O)[C@@H](O1)C)C)C
• Title of publication: Absolute stereostructures of cell-adhesion inhibitors, macrosphelides C, E–G and I, produced by a Periconia species separated from an Aplysia sea hare
• Authors of publication: Yamada, Takeshi; Iritani, Masashi; Doi, Mitsunobu; Minoura, Katsuhiko; Ito, Tadayoshi; Numata, Atsushi
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 22
• Pages of publication: 3046
• a: 10.514 ± 0.002 Å
• b: 28.46 ± 0.002 Å
• c: 5.86 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1753.5 ± 0.7 ų
• Cell temperature: 288 ± 2 K
• Ambient diffraction temperature: 288 ± 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: 0.0532
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No