Information card for entry 4020108

Structure parameters

• Formula: C57 H48 Cl2 N2
• Calculated formula: C56 H43 N2
• Authors of publication: Ming Chen; Kenneth P. Ghiggino; San H. Thang; Jonathan White; Gerard J. Wilson
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 1844 - 1852
• a: 10.5425 ± 0.0007 Å
• b: 11.792 ± 0.0005 Å
• c: 19.307 ± 0.002 Å
• α: 88.382 ± 0.006°
• β: 80.163 ± 0.007°
• γ: 71.376 ± 0.005°
• Cell volume: 2240.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0971
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.2301
• Weighted residual factors for all reflections included in the refinement: 0.2478
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No