Information card for entry 2004297

Structure parameters

• Formula: C14 H11 Cl2 N
• Calculated formula: C14 H11 Cl2 N
• SMILES: Cl[C@@H]1[C@H]2c3c(cccc3)[C@H]([C@@H]3[C@H]2C3C#N)[C@H]1Cl.Cl[C@H]1[C@@H]2c3c(cccc3)[C@@H]([C@H]3[C@@H]2C3C#N)[C@@H]1Cl
• Title of publication: Unusual Chlorination During an Epoxidation Reaction of an Ethenocyclopropa[<i>b</i>]naphthalene Derivative
• Authors of publication: Ülkü, D.; Tahir, M. N.; Menzek, A.; Balcı, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2714 - 2715
• a: 30.403 ± 0.001 Å
• b: 8.13 ± 0.001 Å
• c: 10.354 ± 0.002 Å
• α: 90°
• β: 101.889 ± 0.001°
• γ: 90°
• Cell volume: 2504.4 ± 0.6 ų
• Cell temperature: 295 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.05
• Goodness-of-fit parameter for significantly intense reflections: 1.35
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No