Information card for entry 1555952

Structure parameters

• Formula: C14 H16 Cl4 O4
• Calculated formula: C14 H16 Cl4 O4
• SMILES: ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]([C@@]1(Cl)C2(OC)OC)[C@@H](O)C(=C[C@H]3O)C
• Title of publication: Catalytic Enantioselective Desymmetrization of Norbornenoquinones via C(sp²)-H Alkylation.
• Authors of publication: Sarkar, Rahul; Mukherjee, Santanu
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 23
• Pages of publication: 6160 - 6163
• a: 9.2923 ± 0.0006 Å
• b: 9.2923 ± 0.0006 Å
• c: 38.5 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3324.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No