Information card for entry 1513238

Structure parameters

• Formula: C26 H17 Cl3
• Calculated formula: C26 H17 Cl3
• SMILES: Clc1ccc(cc1)/C=C/C=C1C=C(C(=C1)c1ccc(cc1)Cl)c1ccc(cc1)Cl
• Title of publication: N-heterocyclic carbene catalyzed reaction of cinnamils leading to the formation of 2,3,8-triaryl vinyl fulvenes: an uncommon transformation.
• Authors of publication: Sinu, C. R.; Suresh, Eringathodi; Nair, Vijay
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 24
• Pages of publication: 6230 - 6233
• a: 11.5918 ± 0.0018 Å
• b: 11.6391 ± 0.0017 Å
• c: 16.613 ± 0.003 Å
• α: 98.401 ± 0.003°
• β: 104.892 ± 0.003°
• γ: 91.752 ± 0.003°
• Cell volume: 2137.4 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1163
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.1908
• Weighted residual factors for all reflections included in the refinement: 0.2022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No