Information card for entry 7216875

Structure parameters

• Formula: C18 H22 O5
• Calculated formula: C18 H22 O5
• SMILES: [C@]123CCCC[C@]41C(=O)O[C@@H]2C[C@]14[C@@H]3OC2(OC1=O)CCCCC2.[C@@]123CCCC[C@@]41C(=O)O[C@H]2C[C@@]14[C@H]3OC2(OC1=O)CCCCC2
• Title of publication: Intramolecular [2+2] photocycloadditions as an approach towards the right-hand side of solanoeclepin A
• Authors of publication: Blaauw, Richard H.; Benningshof, Jorg C. J.; van Ginkel, Angeline E.; van Maarseveen, Jan H.; Hiemstra, Henk
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 18
• Pages of publication: 2250
• a: 6.6011 ± 0.0005 Å
• b: 16.1185 ± 0.001 Å
• c: 14.513 ± 0.001 Å
• α: 90°
• β: 91.431 ± 0.007°
• γ: 90°
• Cell volume: 1543.7 ± 0.18 ų
• Cell temperature: 243 K
• Ambient diffraction temperature: 243 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: 0.06
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections: 0.896
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No