Information card for entry 1556139

Structure parameters

• Formula: C17 H20 O5
• Calculated formula: C17 H20 O5
• SMILES: O(C(=O)C1(C2=CC(=O)[C@H]3[C@@]2(CCCC3)C=CC1)C(=O)OC)C.O(C(=O)C1(C2=CC(=O)[C@@H]3[C@]2(CCCC3)C=CC1)C(=O)OC)C
• Title of publication: A simple metal-promoted three-step access to n/5/m angular carbocyclic systems.
• Authors of publication: Barluenga, José; Álvarez-Fernández, Ana; Suárez-Rodríguez, Tatiana; Suárez-Sobrino, Ángel L; Tomás, Miguel
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 488 - 491
• a: 8.7914 ± 0.0004 Å
• b: 9.2136 ± 0.0004 Å
• c: 10.4275 ± 0.0004 Å
• α: 95.867 ± 0.003°
• β: 107.824 ± 0.004°
• γ: 103.956 ± 0.004°
• Cell volume: 766.06 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No