Information card for entry 1577456

Structure parameters

• Formula: C28 H27 N O3 S
• Calculated formula: C28 H27 N O3 S
• Title of publication: Stereoselective Dearomative Formal [3+2] cycloaddition of Indole with Allenols: Access to Structurally Diverse Cyclopenta[b]indoles
• Authors of publication: Shaikh, Aslam C.; Kaur, Kavneet; SINGH, PUJA; Thombare, Rahul D.; P., Adithya K.; Mane, Manoj V.
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 11.19 ± 0.002 Å
• b: 7.9615 ± 0.0014 Å
• c: 13.43 ± 0.002 Å
• α: 90°
• β: 99.689 ± 0.006°
• γ: 90°
• Cell volume: 1179.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1178
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No