Information card for entry 7239094

Structure parameters

• Formula: C35 H23 N
• Calculated formula: C35 H23 N
• Title of publication: Solvent free, phosphine free Pd-catalyzed annulations of aryl bromides with diarylacetylenes
• Authors of publication: Bej, Ansuman; Chakraborty, Amarnath; Sarkar, Amitabha
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 36
• Pages of publication: 15812
• a: 6.6655 ± 0.0008 Å
• b: 21.962 ± 0.002 Å
• c: 32.777 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4798.2 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No