Information card for entry 7121848

Structure parameters

• Formula: C33 H30 N2 O2 S
• Calculated formula: C33 H30 N2 O2 S
• Title of publication: Stereoselective synthesis of 3-spiropiperidino indolenines via S_N2-type ring opening of activated aziridines with 1H-indoles/Pd-catalyzed spirocyclization with propargyl carbonates.
• Authors of publication: Pradhan, Sajan; Shahi, Chandan Kumar; Bhattacharyya, Aditya; Ghorai, Manas K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 62
• Pages of publication: 8583 - 8586
• a: 7.7368 ± 0.0006 Å
• b: 16.8658 ± 0.0012 Å
• c: 20.2866 ± 0.0014 Å
• α: 90°
• β: 96.461 ± 0.002°
• γ: 90°
• Cell volume: 2630.3 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.1936
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No