Information card for entry 7117883

Structure parameters

• Chemical name: JSRhGual
• Formula: C31 H41 Cl N3 Rh
• Calculated formula: C31 H41 Cl N3 Rh
• Title of publication: Rh(iii)-catalyzed [5+1] oxidative cycloaddition of arylguanidines with alkynes: a novel access to C4-disubstituted 1,4-dihydroquinazolin-2-amines.
• Authors of publication: Cajaraville, Ana; Suárez, Jaime; López, Susana; Varela, Jesús A; Saá, Carlos
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 82
• Pages of publication: 15157 - 15160
• a: 15.6033 ± 0.0008 Å
• b: 11.0447 ± 0.0005 Å
• c: 16.5835 ± 0.0009 Å
• α: 90°
• β: 99.361 ± 0.003°
• γ: 90°
• Cell volume: 2819.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1292
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No