Information card for entry 7121300

Structure parameters

• Formula: C30 H25 N3 O4 S
• Calculated formula: C30 H25 N3 O4 S
• Title of publication: Enantioselective aza-Friedel-Crafts reaction of cyclic ketimines with indoles using chiral imidazoline-phosphoric acid catalysts.
• Authors of publication: Nakamura, Shuichi; Furukawa, Takashi; Hatanaka, Tsubasa; Funahashi, Yasuhiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 31
• Pages of publication: 3811 - 3814
• a: 8.6468 ± 0.0004 Å
• b: 10.3139 ± 0.0004 Å
• c: 14.8549 ± 0.001 Å
• α: 90°
• β: 98.238 ± 0.007°
• γ: 90°
• Cell volume: 1311.12 ± 0.12 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0488
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No