Information card for entry 4020112

Structure parameters

• Formula: C40 H31 N
• Calculated formula: C40 H31 N
• 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: 11.1642 ± 0.0015 Å
• b: 11.6529 ± 0.0016 Å
• c: 12.7118 ± 0.0017 Å
• α: 82.228 ± 0.003°
• β: 67.199 ± 0.003°
• γ: 70.834 ± 0.003°
• Cell volume: 1440 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1111
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 0.782
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No