Information card for entry 7203916

Structure parameters

• Formula: C23 H20 N4 O2
• Calculated formula: C23 H20 N4 O2
• SMILES: c1nc2cccnc2nc1[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
• Title of publication: Enantiopure N-protected α-amino glyoxals 1. Synthesis from α-amino acids and some condensation reactions with amines
• Authors of publication: Darkins, Paul; Groarke, Michelle; McKervey, M. Anthony; Moncrieff, Hazel M.; McCarthy, Noreen; Nieuwenhuyzen, Mark
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 3
• Pages of publication: 381
• a: 5.1195 ± 0.001 Å
• b: 9.171 ± 0.0018 Å
• c: 21.063 ± 0.004 Å
• α: 90°
• β: 92.94 ± 0.03°
• γ: 90°
• Cell volume: 987.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No