Information card for entry 1507438

Structure parameters

• Formula: C19 H26 O5
• Calculated formula: C19 H26 O5
• SMILES: O(C(=O)C[C@H]1C2=C([C@H](C1)CC(=O)OC)[C@H]1C(=O)[C@@H](C2(C)C)CC1)C.O(C(=O)C[C@@H]1C2=C([C@@H](C1)CC(=O)OC)[C@@H]1C(=O)[C@H](C2(C)C)CC1)C
• Title of publication: Unprecedented Microwave Effects on the Cycloaddition of Fulvenes. A New Approach to the Construction of Polycyclic Ring Systems
• Authors of publication: Hong, Bor-Cherng; Shr, Yeong-Jou; Liao, Ju-Hsiou
• Journal of publication: Organic Letters
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 663
• a: 32.068 ± 0.008 Å
• b: 6.4068 ± 0.0012 Å
• c: 17.829 ± 0.003 Å
• α: 90°
• β: 97.466 ± 0.015°
• γ: 90°
• Cell volume: 3632 ± 1.3 ų
• Cell temperature: 570 ± 2 K
• Ambient diffraction temperature: 570 ± 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: 0.1512
• Residual factor for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections: 0.2177
• Weighted residual factors for significantly intense reflections: 0.2035
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for significantly intense reflections: 1.236
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No