Information card for entry 4020109

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: 7.484 ± 0.002 Å
• b: 12.286 ± 0.004 Å
• c: 16.015 ± 0.005 Å
• α: 101.624 ± 0.007°
• β: 91.596 ± 0.006°
• γ: 101.812 ± 0.007°
• Cell volume: 1408.1 ± 0.7 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: 0.2128
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 0.747
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No