Information card for entry 1513237

Structure parameters

• Formula: C29 H26
• Calculated formula: C29 H26
• SMILES: c1cc(ccc1/C=C/c1ccc(c(c1)c1ccc(cc1)C)c1ccc(cc1)C)C
• 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: 6.2651 ± 0.0007 Å
• b: 11.9132 ± 0.0012 Å
• c: 14.2495 ± 0.0015 Å
• α: 92.588 ± 0.002°
• β: 94.143 ± 0.002°
• γ: 97.956 ± 0.002°
• Cell volume: 1048.92 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No