Information card for entry 7133383

Structure parameters

• Common name: 2-((1S,2R,3S)-2-nitro-1,2,3,6-tetrahydro-[1,1'-biphenyl]-3-yl)ethyl (4-chlorophenyl)carbamate
• Chemical name: 2-((1S,2R,3S)-2-nitro-1,2,3,6-tetrahydro-[1,1'-biphenyl]-3-yl)ethyl (4-chlorophenyl)carbamate
• Formula: C21 H21 Cl N2 O4
• Calculated formula: C21 H21 Cl N2 O4
• Title of publication: Synthesis and application of chiral <i>cis</i>-2,5-disubstituted pyrrolidine organocatalysts.
• Authors of publication: Singh, Suraj; Kumar, Rohtash; Dubey, Navneet Nandgopal; Appayee, Chandrakumar
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 66
• Pages of publication: 8768 - 8771
• a: 5.1998 ± 0.0008 Å
• b: 15.781 ± 0.003 Å
• c: 24.305 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1994.4 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No