Information card for entry 2005900

Structure parameters

• Formula: C22 H24 Cl3 N O8
• Calculated formula: C22 H23 Cl3 N O8
• Title of publication: A Possible Synthetic Precursor to the Tropoloisoquinoline Alkaloid Pareirubrine A
• Authors of publication: Banwell, M. G.; Hockless, D. C. R.; Peters, S. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 109 - 111
• a: 14.453 ± 0.002 Å
• b: 10.149 ± 0.003 Å
• c: 17.136 ± 0.001 Å
• α: 90°
• β: 91.315 ± 0.007°
• γ: 90°
• Cell volume: 2512.9 ± 0.8 ų
• Cell temperature: 213 ± 1 K
• Ambient diffraction temperature: 213 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.0641
• Goodness-of-fit parameter for significantly intense reflections: 2.175
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No