Information card for entry 2203320

Structure parameters

• Formula: C14 H13 Cl
• Calculated formula: C14 H13 Cl
• SMILES: ClCC1[C@@H]2[C@H]1[C@H]1c3c([C@@H]2C=C1)cccc3
• Title of publication: <i>exo</i>-(1<i>RS</i>,8<i>SR</i>,9<i>RS</i>,11<i>SR</i>)-10-Chloromethyltetracyclo[6.3.2.0^2,7^0^9,11^]undecane-2,4,6,12-tetraene
• Authors of publication: Ufuk Çoruh; Tuncer Hökelek; Vázquez-López, Ezequiel M.; Abdullah Menzek; Cavit Kazaz; M. Emin Şengül
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: o350 - o352
• a: 8.04 ± 0.0008 Å
• b: 7.8514 ± 0.0007 Å
• c: 18.1877 ± 0.0016 Å
• α: 90°
• β: 101.133 ± 0.002°
• γ: 90°
• Cell volume: 1126.5 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0927
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 0.848
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes