Information card for entry 1518398

Structure parameters

• Common name: coumarin 10
• Chemical name: racemic dimethyl(1S,3aR,9bS)-3-(4-methyoyphenyl)-4-oxo-1,9b-dihydro- chromeno[3,4-c]pyrrole-1,3a(4H)-dicarboxylate
• Formula: C22 H19 N O7
• Calculated formula: C22 H19 N O7
• Title of publication: Titanium(IV)-catalyzed stereoselective synthesis of spirooxindole-1-pyrrolines.
• Authors of publication: Badillo, Joseph J.; Ribeiro, Carlos J. A.; Olmstead, Marilyn M.; Franz, Annaliese K.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 24
• Pages of publication: 6270 - 6273
• a: 17.736 ± 0.003 Å
• b: 12.166 ± 0.002 Å
• c: 17.785 ± 0.004 Å
• α: 90°
• β: 91.25 ± 0.003°
• γ: 90°
• Cell volume: 3836.7 ± 1.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• 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: 0.0937
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No