Information card for entry 4027072

Structure parameters

• Formula: C24 H30 Cl N
• Calculated formula: C24 H30 Cl N
• Title of publication: Unexpected 5,6,7,8,9,10-Hexahydro-6,6-pentamethylenephenanthridines and 2,3,4,5-Tetrahydro-4,4-tetramethylene-1H-cyclopenta[c]quinolines from Skraup-Doebner-Von Miller Quinoline Synthesis and Their Implications for the Mechanism of That Reaction
• Authors of publication: Jean Fotie; Hilaire V. Kemami Wangun; Frank R. Fronczek; Nancy Massawe; Bijay T. Bhattarai; Jessica L. Rhodus; Thomas A. Singleton; D. Scott Bohle
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 2784 - 2790
• a: 8.18 ± 0.001 Å
• b: 9.9875 ± 0.0013 Å
• c: 13.2073 ± 0.0015 Å
• α: 97.344 ± 0.006°
• β: 98.122 ± 0.008°
• γ: 111.627 ± 0.008°
• Cell volume: 973.8 ± 0.2 ų
• Cell temperature: 95 ± 0.5 K
• Ambient diffraction temperature: 95 ± 0.5 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No