Information card for entry 7055686

Structure parameters

• Formula: C36 H38 N2 O2
• Calculated formula: C36 H38 N2 O2
• SMILES: O(C(=O)C1=C(C[C@H](c2ccc(cc2)C)N([C@H]1c1ccc(cc1)C)c1ccccc1)Nc1ccccc1)C(C)(C)C.O(C(=O)C1=C(C[C@@H](c2ccc(cc2)C)N([C@@H]1c1ccc(cc1)C)c1ccccc1)Nc1ccccc1)C(C)(C)C
• Title of publication: Synthesis of functionalized dihydro-2-oxypyrroles and tetrahydropyridines using 2,6-pyridinedicarboxylic acid as an efficient and mild organocatalyst
• Authors of publication: Khan, Md. Musawwer; Khan, Sarfaraz; Iqbal, Safia; Saigal, Saigal; Yousuf, Raveed
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 9
• Pages of publication: 7504
• a: 10.6089 ± 0.0008 Å
• b: 11.667 ± 0.0008 Å
• c: 13.3789 ± 0.001 Å
• α: 77.684 ± 0.005°
• β: 78.335 ± 0.005°
• γ: 76.227 ± 0.005°
• Cell volume: 1551.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1108
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No