Information card for entry 1506280

Structure parameters

• Formula: C18 H21 Cl5 O
• Calculated formula: C18 H21 Cl5 O
• SMILES: ClC(Cl)[C@]12[C@@H](C[C@]34C[C@@]5([C@H](Cl)C5(Cl)Cl)[C@](OC)(C=C23)C4)CCCC1.ClC(Cl)[C@@]12[C@H](C[C@@]34C[C@]5([C@@H](Cl)C5(Cl)Cl)[C@@](OC)(C=C23)C4)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: 6.6052 ± 0.0002 Å
• b: 16.5809 ± 0.0005 Å
• c: 19.2553 ± 0.0006 Å
• α: 111.316 ± 0.0013°
• β: 93.605 ± 0.002°
• γ: 99.927 ± 0.002°
• Cell volume: 1916.96 ± 0.1 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: 0.0878
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections included in the refinement: 0.0452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0263
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No