Information card for entry 7113525

Structure parameters

• Formula: C20 H22 N2
• Calculated formula: C20 H22 N2
• SMILES: N1([C@@H]2c3ccccc3N3CCC[C@@H]3[C@@H]2CC1)c1ccccc1.N1([C@H]2c3ccccc3N3CCC[C@H]3[C@H]2CC1)c1ccccc1
• Title of publication: The reaction of phenyldimethylsilyllithium with N-phenylpyrrolidone
• Authors of publication: Buswell, Marina; Fleming, Ian
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 2
• Pages of publication: 202 - 203
• a: 24.888 ± 0.005 Å
• b: 43.375 ± 0.009 Å
• c: 5.665 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6115 ± 2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections: 0.2587
• Weighted residual factors for significantly intense reflections: 0.0929
• Goodness-of-fit parameter for all reflections: 1.004
• Goodness-of-fit parameter for significantly intense reflections: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103933
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No