Information card for entry 4023627

Structure parameters

• Formula: C19 H20 N2 O2
• Calculated formula: C19 H20 N2 O2
• SMILES: O=C1N([C@H](c2ccccc2)CC1)C(=O)N[C@H](c1ccccc1)C
• Title of publication: Synthesis and Absolute Configuration of Novel N,O-Psiconucleosides Using (R)-N-Phenylpantolactam as a Resolution Agent
• Authors of publication: Pelayo Camps; Tània Gómez; Diego Muñoz-Torrero; Jordi Rull; Laura Sánchez; Francesca Boschi; Mauro Comes-Franchini; Alfredo Ricci; Teresa Calvet; Mercè Font-Bardia; Erik De Clercq; Lieve Naesens
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 6657 - 6665
• a: 9.192 ± 0.003 Å
• b: 9.691 ± 0.011 Å
• c: 10.351 ± 0.004 Å
• α: 67.9 ± 0.06°
• β: 87.58 ± 0.03°
• γ: 83.57°
• Cell volume: 848.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.2064
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No