Information card for entry 7161170

Structure parameters

• Chemical name: 2-(4-benzyl-5,7-dimethoxy-1,1,2-trimethyl-1H-inden-3-yl)acetonitrile
• Formula: C23 H25 N O2
• Calculated formula: C23 H25 N O2
• Title of publication: Electrocyclization of arylvinyl β-hydroxyacetonitrile to substituted cyanomethyl indene derivatives
• Authors of publication: Kumar, Amit; Nanubolu, Jagadeesh Babu; Gangarajula, Sudhakar
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2026
• a: 13.1788 ± 0.0006 Å
• b: 8.0426 ± 0.0004 Å
• c: 19.529 ± 0.0009 Å
• α: 90°
• β: 108.991 ± 0.002°
• γ: 90°
• Cell volume: 1957.25 ± 0.16 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1091
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No