Information card for entry 4501441

Structure parameters

• Chemical name: Ethyl 6-(5-fluoro-2-methyl-2,3-dihydrobenzofuran-7-yl)-2-methylnicotinate
• Formula: C18 H18 F N O3
• Calculated formula: C18 H18 F N O3
• Title of publication: Facile diversity-oriented synthesis and antitubercular evaluation of novel aryl and heteroaryl tethered pyridines and dihydro-6H-quinolin-5-ones derived via variants of the Bohlmann-Rahtz Reaction.
• Authors of publication: Kantevari, Srinivas; Patpi, Santhosh Reddy; Addla, Dinesh; Putapatri, Siddamal Reddy; Sridhar, Balasubramanian; Yogeeswari, Perumal; Sriram, Dharmarajan
• Journal of publication: ACS combinatorial science
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 4
• Pages of publication: 427 - 435
• a: 7.632 ± 0.0004 Å
• b: 18.751 ± 0.0009 Å
• c: 11.424 ± 0.0005 Å
• α: 90°
• β: 97.479 ± 0.001°
• γ: 90°
• Cell volume: 1620.95 ± 0.14 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.2123
• Weighted residual factors for all reflections included in the refinement: 0.2225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No