Information card for entry 1506474

Structure parameters

• Formula: C36 H21 Cl5
• Calculated formula: C36 H21 Cl5
• SMILES: Clc1ccc(C2(c3ccc(Cl)c4cccc(C2(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c34)c2ccc(Cl)cc2)cc1
• Title of publication: Synthesis and reactivity of a chlorinated 1,8-bis(diarylmethylium)naphthalenediyl dication.
• Authors of publication: Wang, Huadong; Gabbaï, François P
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 2
• Pages of publication: 283 - 285
• a: 12.1408 ± 0.0019 Å
• b: 18.163 ± 0.003 Å
• c: 13.577 ± 0.002 Å
• α: 90°
• β: 107.848 ± 0.003°
• γ: 90°
• Cell volume: 2849.8 ± 0.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0786
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No