Information card for entry 2227658

Structure parameters

• Common name: 6α,7α-dichlorocarbene-himachal-3-en-2-one
• Chemical name: (1<i>S</i>,2<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10- tetramethyltricyclo[6.4.0.0^1,3^]dodec-10-en-9-one
• Formula: C16 H22 Cl2 O
• Calculated formula: C16 H22 Cl2 O
• SMILES: CC1=CC[C@]23[C@H](C1=O)C(C)(C)CCC[C@]2(C3(Cl)Cl)C
• Title of publication: (1<i>S</i>,2<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-10-en-9-one
• Authors of publication: Benharref, Ahmed; El Ammari, Lahcen; Berraho, Moha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2911
• a: 6.668 ± 0.0007 Å
• b: 18.776 ± 0.0016 Å
• c: 12.7696 ± 0.0012 Å
• α: 90°
• β: 90.43 ± 0.003°
• γ: 90°
• Cell volume: 1598.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes