Information card for entry 7111163

Structure parameters

• Formula: C18 H18 O6
• Calculated formula: C18 H18 O6
• SMILES: O1C(=O)C(=C(\C(=O)OCC)C(=O)OCC)\C(=C\c2ccccc2)\C1
• Title of publication: A novel Lewis acid-promoted enyne cycloisomerization of triester-substituted alkenes
• Authors of publication: Yamazaki, Shoko; Yamada, Kuriko; Otsubo, Tetsuya; Haruna, Masayo; Kutsuwa, Emiko; Tamura, Hatsue
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 1
• Pages of publication: 69
• a: 8.1206 ± 0.0003 Å
• b: 10.5914 ± 0.0003 Å
• c: 19.7984 ± 0.0007 Å
• α: 90°
• β: 100.513 ± 0.001°
• γ: 90°
• Cell volume: 1674.25 ± 0.1 ų
• Cell temperature: 296.2 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 significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.78
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No