Information card for entry 1506277

Structure parameters

• Formula: C16 H20 Cl4 O
• Calculated formula: C16 H20 Cl4 O
• SMILES: [C@@]12(C([C@H]1C[C@@]13C[C@H]4CCCC[C@H]4[C@]1(C2)C3(Cl)Cl)(Cl)Cl)OC.[C@]12(C([C@@H]1C[C@]13C[C@@H]4CCCC[C@@H]4[C@@]1(C2)C3(Cl)Cl)(Cl)Cl)OC
• Title of publication: Exploitation of cyclopropane ring-cleavage reactions for the rapid assembly of tetracyclic frameworks related to gibberellins.
• Authors of publication: Banwell, Martin G.; Phillis, Andrew T.; Willis, Anthony C.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 23
• Pages of publication: 5341 - 5344
• a: 6.6694 ± 0.0002 Å
• b: 10.1604 ± 0.0003 Å
• c: 12.2442 ± 0.0003 Å
• α: 100.632 ± 0.0019°
• β: 94.9445 ± 0.0017°
• γ: 94.3746 ± 0.0018°
• Cell volume: 808.83 ± 0.04 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.035
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for all reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0332
• Weighted residual factors for all reflections included in the refinement: 0.0332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0552
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No