Information card for entry 2201285

Structure parameters

• Chemical name: ethyl 2-cyclopentoxy-4-hydroxy-5-ethyl-6-methylnicotinate
• Formula: C16 H23 N O4
• Calculated formula: C16 H23 N O4
• SMILES: O(C(=O)c1c(O)c(c(nc1OC1CCCC1)C)CC)CC
• Title of publication: Ethyl 2-(cyclopentyloxy)-5-ethyl-4-hydroxy-6-methylnicotinate
• Authors of publication: Boland, Sandro; Cauvin, Christine; Norberg, Bernadette; Le Van, Kiet; Georges, Benoît; Hevesi, Laszlo; Durant, François
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: o964 - o965
• a: 6.312 ± 0.001 Å
• b: 10.571 ± 0.001 Å
• c: 12.396 ± 0.002 Å
• α: 84.205 ± 0.007°
• β: 77.098 ± 0.008°
• γ: 88.827 ± 0.005°
• Cell volume: 802.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1257
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes