Information card for entry 1547054

Structure parameters

• Formula: C11 H16 N2 O2
• Calculated formula: C11 H16 N2 O2
• SMILES: O=C1C(=N#N)[C@@]2(O)[C@@](CC1)(CCCC2)C.O=C1C(=N#N)[C@]2(O)[C@](CC1)(CCCC2)C
• 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: 24.608 ± 0.007 Å
• b: 7.147 ± 0.002 Å
• c: 12.285 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2160.6 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1098
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No