Information card for entry 4075138

Structure parameters

• Formula: C22 H20
• Calculated formula: C22 H20
• SMILES: C(=C(\c1ccccc1)C)(c1ccc(cc1)C)\c1ccccc1
• Title of publication: Nickel-Catalyzed Cross-Coupling Reaction of Niobium(III)−Alkyne Complexes with Aryl Iodides
• Authors of publication: Obora, Yasushi; Kimura, Masahiro; Ohtake, Toshiyuki; Tokunaga, Makoto; Tsuji, Yasushi
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 8
• Pages of publication: 2097
• a: 8.674 ± 0.009 Å
• b: 9.156 ± 0.009 Å
• c: 20.18 ± 0.03 Å
• α: 90°
• β: 90.3 ± 0.04°
• γ: 90°
• Cell volume: 1603 ± 3 ų
• Cell temperature: 113.1 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No