Information card for entry 7121113

Structure parameters

• Common name: YQZ-132-A
• Chemical name: (3S,4a'R,5a'S)-6-methoxy-1'-methyl-4',4a',5',5a',7',8'-hexahydro-3'H,10'H-spiro[indoline-3,6'-pyrano[3,4-f]indolizine]-2,10'-dione
• Formula: C20 H22 N2 O4
• Calculated formula: C20 H22 N2 O4
• SMILES: O=C1Nc2cc(OC)ccc2[C@@]21CCN1[C@H]2C[C@@H]2CCOC(=C2C1=O)C
• Title of publication: Nine-step total synthesis of (-)-strychnofoline.
• Authors of publication: Yu, Qingzhen; Guo, Pan; Jian, Jie; Chen, Yuye; Xu, Jing
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 1125 - 1128
• a: 6.41 ± 0.0004 Å
• b: 12.0057 ± 0.0009 Å
• c: 22.2391 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1711.4 ± 0.2 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.0313
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No