Information card for entry 7061451

Structure parameters

• Formula: C19 H16 N2 O
• Calculated formula: C19 H16 N2 O
• SMILES: O=C1N2[C@@](c3c1cccc3)(c1[nH]c3c(c1CC2)cccc3)C
• Title of publication: Enantioselective intramolecular Pictet–Spengler type annulation of indole-linked 3-methyleneisoindolin-1-ones
• Authors of publication: Liu, Min; Li, Wenzhe; Huang, Min; Yan, Yingkun; Li, Min; Cao, Lianyi; Zhang, Xiaomei
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 20
• Pages of publication: 9582 - 9586
• a: 7.4363 ± 0.0004 Å
• b: 14.1125 ± 0.0009 Å
• c: 14.224 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1492.73 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No