Information card for entry 2200041

Structure parameters

• Common name: Moschamindole
• Chemical name: {2-(3-methoxy-4-hydroxyphenyl)}-dihydrofuro[kl]-1H- pyrrolo[fg]-2-oxo-1,2,3,4,5,6-hexahydro-3-benzazocine
• Formula: C20 H18 N2 O4
• Calculated formula: C20 H18 N2 O4
• SMILES: O1[C@H]([C@@H]2C(=O)NCCc3c4c2c1ccc4[nH]c3)c1ccc(O)c(OC)c1
• Title of publication: Moschamindole
• Authors of publication: Cox, Philip J.; Fergusson, Margot; Nahar, Lutfun; Sarker, Satyajit D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: o81 - o82
• a: 4.8724 ± 0.0003 Å
• b: 15.2803 ± 0.0009 Å
• c: 10.694 ± 0.0007 Å
• α: 90°
• β: 101.84 ± 0.003°
• γ: 90°
• Cell volume: 779.25 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes