Information card for entry 4082131

Structure parameters

• Formula: C10 H8 F N O3
• Calculated formula: C10 H8 F N O3
• SMILES: Fc1ccc2NC(=O)C3(c2c1)OCCO3
• Title of publication: Base-Promoted Expedient Access to Spiroisatins: Synthesis and Antitubercular Evaluation of 1H-1,2,3-Triazole-Tethered Spiroisatin‒Ferrocene and Isatin‒Ferrocene Conjugates
• Authors of publication: Kumar, Kewal; Biot, Christophe; Carrère-Kremer, Séverine; Kremer, Laurent; Guérardel, Yann; Roussel, Pascal; Kumar, Vipan
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 24
• Pages of publication: 7386
• a: 11.4436 ± 0.0006 Å
• b: 5.2965 ± 0.0003 Å
• c: 15.8782 ± 0.0009 Å
• α: 90°
• β: 97.601 ± 0.003°
• γ: 90°
• Cell volume: 953.94 ± 0.09 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1011
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections: 0.1414
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No