Information card for entry 7129504

Structure parameters

• Common name: LM_Chlorine_250K
• Formula: C17 H20 Cl N3 O
• Calculated formula: C17 H20 Cl N3 O
• Title of publication: Asymmetric synthesis of cyclic β-amino carbonyl derivatives by a formal [3 + 2] photocycloaddition
• Authors of publication: Mollari, Leonardo; Valle-Amores, Miguel A.; Martínez-Gualda, Ana M.; Marzo, Leyre; Fraile, Alberto; Aleman, José
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 7.262 ± 0.006 Å
• b: 10.514 ± 0.006 Å
• c: 11.343 ± 0.008 Å
• α: 90°
• β: 97.63 ± 0.03°
• γ: 90°
• Cell volume: 858.4 ± 1.1 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.16
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1627
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No