Information card for entry 1506472

Structure parameters

• Formula: C36 H28
• Calculated formula: C36 H26
• SMILES: c12cccc3cccc(c13)C(c1ccccc1)(c1ccccc1)C2(c1ccccc1)c1ccccc1
• 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: 8.792 ± 0.004 Å
• b: 14.257 ± 0.007 Å
• c: 19.081 ± 0.009 Å
• α: 90°
• β: 95.562 ± 0.01°
• γ: 90°
• Cell volume: 2380.5 ± 1.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 2
• 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: 0.0701
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No