Information card for entry 1506276

Structure parameters

• Formula: C16 H20 Cl4 O
• Calculated formula: C16 H20 Cl4 O
• SMILES: ClC(Cl)[C@@]12[C@H](CC3=C2C[C@@]2(OC)C(Cl)(Cl)[C@H]2C3)CCCC1.ClC(Cl)[C@]12[C@@H](CC3=C2C[C@]2(OC)C(Cl)(Cl)[C@@H]2C3)CCCC1
• 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: 12.3111 ± 0.0002 Å
• b: 10.7924 ± 0.0002 Å
• c: 14.003 ± 0.0002 Å
• α: 90°
• β: 114.56 ± 0.0011°
• γ: 90°
• Cell volume: 1692.2 ± 0.05 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for all reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.03
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0835
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No