Information card for entry 7150699

Structure parameters

• Common name: dioxaspiro(bicyclo(3.2.1)octane-2,2'-oxolane) derivative 1
• Chemical name: dioxaspiro[bicyclo[3.2.1]octane-2,2'-oxolane] derivative 1
• Formula: C27 H42 O7
• Calculated formula: C27 H42 O7
• SMILES: CC1([C@@H]2CC[C@@]([C@]3(CC[C@]([C@@H]4CC[C@@H]([C@@]5(CC[C@@H]([C@@]6(CCC(=O)O6)C)O5)C)O4)(C)O3)O1)(C)O2)C.CC1([C@H]2CC[C@]([C@@]3(CC[C@@]([C@H]4CC[C@H]([C@]5(CC[C@H]([C@]6(CCC(=O)O6)C)O5)C)O4)(C)O3)O1)(C)O2)C
• Title of publication: Discovery of a new PCC-mediated stereoselective oxidative spiroketalization process. An access to a new type of poly-THF spiroketal compound displaying anticancer activity
• Authors of publication: Piccialli, Vincenzo; Oliviero, Giorgia; Borbone, Nicola; Tuzi, Angela; Centore, Roberto; Hemminki, Akseli; Ugolini, Matteo; Cerullo, Vincenzo
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 15
• Pages of publication: 3036
• a: 13.209 ± 0.001 Å
• b: 7.494 ± 0.001 Å
• c: 25.505 ± 0.005 Å
• α: 90°
• β: 91.45 ± 0.01°
• γ: 90°
• Cell volume: 2523.9 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2249
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.2048
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No