Information card for entry 2214287

Structure parameters

• Chemical name: Methyl 5'-acetyl-2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-4H-pyran]-3'-carboxylate
• Formula: C18 H18 N2 O5
• Calculated formula: C18 H18 N2 O5
• SMILES: O=C1Nc2ccccc2C21C(=C(OC(=C2C(=O)OCC)N)C)C(=O)C
• Title of publication: Methyl 5'-acetyl-2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-4<i>H</i>-pyran]-3'-carboxylate
• Authors of publication: Shishkina, Svetlana V.; Shishkin, Oleg V.; Redkin, Ruslan Gr.; Shemchuk, Leonid A.; Chernykh, Valentin P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3193 - o3193
• a: 24.5506 ± 0.0009 Å
• b: 10.6729 ± 0.0004 Å
• c: 15.8285 ± 0.0007 Å
• α: 90°
• β: 122.818 ± 0.003°
• γ: 90°
• Cell volume: 3485.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes