Information card for entry 4513807

Structure parameters

• Formula: C26 H21 N
• Calculated formula: C26 H21 N
• SMILES: N#Cc1c(C2=C(C(c3c2cccc3)C(=C)C)Cc2ccccc2)cccc1
• Title of publication: Palladium Tandem Catalysis in the Atropodiastereoselective Synthesis of Indenes Bearing Central and Axial Chirality
• Authors of publication: Borie, Cyril; Vanthuyne, Nicolas; Bertrand, Michèle P.; Siri, Didier; Nechab, Malek
• Journal of publication: ACS Catalysis
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 1559
• a: 8.219 ± 0.0004 Å
• b: 10.1031 ± 0.0006 Å
• c: 12.1768 ± 0.0006 Å
• α: 86.213 ± 0.004°
• β: 78.34 ± 0.004°
• γ: 86.602 ± 0.004°
• Cell volume: 987.01 ± 0.09 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0476
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No