Information card for entry 7130809

Structure parameters

• Formula: C20 H20 N2 O
• Calculated formula: C20 H20 N2 O
• SMILES: O=C1N(C(c2c3c([nH]c2)cccc3)c2c1cccc2)C(C)(C)C
• Title of publication: A cascade reaction of indolyl-migratory isocyanide insertion, scaffold rearrangement and redox-neutral event with isocyanide as a C_(sp³)H-N synthon efficiently constructs indolylisoindolinones.
• Authors of publication: Sisodiya, Shailendra; Acharya, Ayan; Nagpure, Mithilesh; Roy, Nibedita; Giri, Santosh K.; Yadav, Hare Ram; R Choudhury, Angshuman; Guchhait, Sankar K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• a: 10.581 ± 0.006 Å
• b: 11.314 ± 0.005 Å
• c: 14.595 ± 0.009 Å
• α: 91.596 ± 0.014°
• β: 106.105 ± 0.017°
• γ: 99.6 ± 0.02°
• Cell volume: 1650.1 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2459
• Residual factor for significantly intense reflections: 0.1109
• Weighted residual factors for significantly intense reflections: 0.2658
• Weighted residual factors for all reflections included in the refinement: 0.3776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No