Information card for entry 1547056

Structure parameters

• Chemical name: (1R*,5R*,6R*)-ethyl-5-methoxy-7,9-dioxobicyclo[4.2.1]nonane-1-carboxylate
• Formula: C13 H18 O5
• Calculated formula: C13 H18 O5
• SMILES: O=C1[C@H]2[C@H](OC)CCC[C@@](C1)(C2=O)C(=O)OCC.O=C1[C@@H]2[C@@H](OC)CCC[C@](C1)(C2=O)C(=O)OCC
• Title of publication: Rearrangements of α-Diazo-β-hydroxyketones for the Synthesis of Bicyclo[m.n.1]alkanones.
• Authors of publication: Li, Zhengning; Lam, Shuk Mei; Ip, Ignatius; Wong, Wing-Tak; Chiu, Pauline
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 17
• Pages of publication: 4464 - 4467
• a: 6.2449 ± 0.0004 Å
• b: 16.6852 ± 0.0011 Å
• c: 13.0222 ± 0.0009 Å
• α: 90°
• β: 92.659 ± 0.001°
• γ: 90°
• Cell volume: 1355.42 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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 all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No