Information card for entry 7124753

Structure parameters

• Common name: ME4
• Formula: C25 H24 Cl N3 O
• Calculated formula: C25 H24 Cl N3 O
• Title of publication: Enantioselective rhodium/ruthenium photoredox catalysis en route to chiral 1,2-aminoalcohols.
• Authors of publication: Ma, Jiajia; Harms, Klaus; Meggers, Eric
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 66
• Pages of publication: 10183 - 10186
• a: 10.3206 ± 0.0004 Å
• b: 11.6585 ± 0.0005 Å
• c: 18.3971 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2213.59 ± 0.16 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0447
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No