Information card for entry 4515864

Structure parameters

• Chemical name: ethyl 5'-fluoro-3-(4-methoxyphenyl)-2'-oxospiro[cyclopropane-1,3'-indoline]-2-carboxylate
• Formula: C20 H18 F N O4
• Calculated formula: C20 H18 F N O4
• SMILES: c12ccc(cc1[C@@]1(C(=O)N2)[C@@H]([C@H]1C(=O)OCC)c1ccc(cc1)OC)F.c12ccc(cc1[C@]1(C(=O)N2)[C@H]([C@@H]1C(=O)OCC)c1ccc(cc1)OC)F
• Title of publication: Solvent-Controlled, Tunable Domino Reaction of 3-Ylideneoxindoles with in Situ-Generated α-Aryldiazomethanes: A Facile Access to 3-Spirocyclopropyl-2-oxindole and Pyrazoloquinazolinone Scaffolds.
• Authors of publication: Ramu, Gopathi; Hari Krishna, Namballa; Pawar, Gaurav; Visweswara Sastry, K. N.; Nanubolu, Jagadeesh Babu; Nagendra Babu, Bathini
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 12349 - 12360
• a: 6.081 ± 0.005 Å
• b: 12.345 ± 0.011 Å
• c: 22.898 ± 0.016 Å
• α: 90°
• β: 93.02 ± 0.02°
• γ: 90°
• Cell volume: 1717 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1137
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No