Information card for entry 2200330

Structure parameters

• Chemical name: N-(1-Adamantyl)-4-hydroxy-2-(2-methylpropyl)-2-oxo-1,2-dihydroquinoline-3- carboxamide
• Formula: C25.5 H34 N2 O3.5
• Calculated formula: C25.5 H34 N2 O3.5
• Title of publication: <i>N</i>-(1-Adamantyl)-4-hydroxy-2-(2-methylpropyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
• Authors of publication: Shishkina, Svetlana V.; Shishkin, Oleg V.; Ukrainets, Igor V.; Maher Amer; Sidorenko, Lyudmila V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: o414 - o415
• a: 15.14 ± 0.004 Å
• b: 13.655 ± 0.003 Å
• c: 12.286 ± 0.003 Å
• α: 90°
• β: 110.51 ± 0.03°
• γ: 90°
• Cell volume: 2379 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2399
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.212
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes