Information card for entry 7123645

Structure parameters

• Formula: C26 H24 Cl N O4
• Calculated formula: C26 H24 Cl N O4
• Title of publication: Stereospecific assembly of tetrahydroquinolines via tandem ring-opening/oxidative cyclization of donor-acceptor cyclopropanes with N-alkyl anilines
• Authors of publication: Punniyamurthy, Tharmalingam; Das, Bijay Ketan; Pradhan, Sourav
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.8937 ± 0.0009 Å
• b: 11.1906 ± 0.001 Å
• c: 11.7431 ± 0.0008 Å
• α: 68.403 ± 0.007°
• β: 71.507 ± 0.007°
• γ: 82.528 ± 0.007°
• Cell volume: 1146.32 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No