Information card for entry 1505376

Structure parameters

• Formula: C15 H22 Cl2 O5
• Calculated formula: C15 H22 Cl2 O5
• SMILES: [C@]1([C@]2(C(=C([C@@H]([C@H]2C(C)(C)O1)C)Cl)OC)Cl)(C(=O)COC)OC.[C@@]1([C@@]2(C(=C([C@H]([C@@H]2C(C)(C)O1)C)Cl)OC)Cl)(C(=O)COC)OC
• Title of publication: Serendipitously discovered diazomethane-mediated novel molecular rearrangements of norbornyl alpha-ketohemiketals.
• Authors of publication: Khan, Faiz Ahmed; Rao, G. Hari Mangeswara; Satapathy, Rashmirekha; Parasuraman, Karuppasamy
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 1581 - 1584
• a: 6.6275 ± 0.0006 Å
• b: 8.0268 ± 0.0008 Å
• c: 15.9888 ± 0.0016 Å
• α: 76.221 ± 0.002°
• β: 89.339 ± 0.002°
• γ: 84.059 ± 0.002°
• Cell volume: 821.58 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 293 ± 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: 0.0707
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No