Information card for entry 7116092

Structure parameters

• Chemical name: (3RS,6RS,6aRS,11bRS)-8,11-dimethoxy-6a-methyl-2-oxo-3,4,5,6,6a,7-hexahydro-2H-3,11b-methanoindeno[1,2-b]oxocin-6-yl methanesulfonate (16)
• Formula: C13 H18 O2
• Calculated formula: C13 H18 O2
• SMILES: [C@]123[C@@H](C(=C)[C@H](CC3)O)C[C@@H](C(=O)C2)CC1.[C@@]123[C@H](C(=C)[C@@H](CC3)O)C[C@H](C(=O)C2)CC1
• Title of publication: A new route to platencin via decarboxylative radical cyclization
• Authors of publication: Gamal A. I. Moustafa; Yuki Saku; Hiroshi Aoyama; Takehiko Yoshimitsu
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 15706
• a: 9.001 ± 0.011 Å
• b: 11.207 ± 0.013 Å
• c: 20.96 ± 0.02 Å
• α: 90°
• β: 90.919 ± 0.014°
• γ: 90°
• Cell volume: 2114 ± 4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1542
• Residual factor for significantly intense reflections: 0.1327
• Weighted residual factors for significantly intense reflections: 0.3926
• Weighted residual factors for all reflections included in the refinement: 0.4116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.594
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No