Information card for entry 1547055

Structure parameters

• Formula: C13 H18 N2 O4
• Calculated formula: C13 H18 N2 O4
• SMILES: O=C1C(=N#N)[C@]2(O)[C@](C1)(CCC[C@@H]2C)C(=O)OCC.O=C1C(=N#N)[C@@]2(O)[C@@](C1)(CCC[C@H]2C)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: 7.536 ± 0.0007 Å
• b: 8.9321 ± 0.0009 Å
• c: 10.4173 ± 0.001 Å
• α: 103.152 ± 0.001°
• β: 95.411 ± 0.001°
• γ: 90.804 ± 0.001°
• Cell volume: 679.32 ± 0.11 ų
• Cell temperature: 305 ± 2 K
• Ambient diffraction temperature: 305 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No