Information card for entry 7100407

Structure parameters

• Common name: (1S,5S,7(3')S/1R,5R,7(3')R)-(1-Acetyl-5-methyl-6,8- dioxabicyclo(3.2.1)octane)-7-spiro-3'-(5'-bromo-1'-ethylindolin-2'-one)
• Formula: C18 H20 Br N O4
• Calculated formula: C18 H20 Br N O4
• SMILES: Brc1ccc2N(C(=O)[C@]3(O[C@@]4(O[C@]3(CCC4)C(=O)C)C)c2c1)CC.Brc1ccc2N(C(=O)[C@@]3(O[C@]4(O[C@@]3(CCC4)C(=O)C)C)c2c1)CC
• Title of publication: TiCl4 Catalyzed Tandem Construction of C-C and C-O Bonds: a Simple and One-Pot Atom-Economical Stereoselective Synthesis of Spiro-Oxindoles
• Authors of publication: Deevi Basavaiah; Jamjanam Srivardhana Rao; Anumolu Jaganmohan Rao; Raju J. Reddy
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 12.5767 ± 0.0008 Å
• b: 9.3151 ± 0.0006 Å
• c: 15.5341 ± 0.0011 Å
• α: 90°
• β: 109.086 ± 0.001°
• γ: 90°
• Cell volume: 1719.8 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No