Information card for entry 7216921

Structure parameters

• Chemical name: trans-7,7-(ethylenedioxy)bicyclo(4.4.0)dec-3-yl p-nitrobenzoate
• Formula: C20 H25 N O6
• Calculated formula: C20 H25 N O6
• SMILES: O1CCOC21CCCC[C@@H]1[C@@H]2CC[C@H](OC(=O)c2ccc(N(=O)=O)cc2)C1
• Title of publication: Rhodium(II)-carbenoid C‒H insertion reactions in the synthesis of α,β′-dioxospirane systems
• Authors of publication: Aburel, Pompiliu S.; Rømming, Christian; Undheim, Kjell
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 9
• Pages of publication: 1024
• a: 5.4613 ± 0.0009 Å
• b: 16.035 ± 0.003 Å
• c: 20.772 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1819 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No