Information card for entry 7127499

Structure parameters

• Formula: C37 H33 N O4
• Calculated formula: C37 H33 N O4
• Title of publication: A silver-catalyzed stereoselective domino cycloisomerization-vinylogous aldol reaction of <i>ortho</i>-alkynylbenzaldehydes with 3-alkylidene oxindoles: an entry to functionalized isochromenes.
• Authors of publication: Kumar, Krishna; Singh, Bhuvnesh; Singh, Ravi P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 96
• Pages of publication: 15153 - 15156
• a: 15.1432 ± 0.0006 Å
• b: 12.4911 ± 0.0005 Å
• c: 16.2178 ± 0.0006 Å
• α: 90°
• β: 104.238 ± 0.001°
• γ: 90°
• Cell volume: 2973.4 ± 0.2 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 ± 2 K
• Number of distinct elements: 4
• 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: 0.1402
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No