Information card for entry 7157499

Structure parameters

• Formula: C30 H29 N O7
• Calculated formula: C30 H29 N O7
• SMILES: O(c1c(OC)cc2c(CCn3c(c(c(c4ccccc4)c23)C(=O)OC)c2cc(OC)c(O)c(OC)c2)c1)C
• Title of publication: FeCl₂ catalyzed direct modification of dihydropyrrolo[2,1-a]isoquinolines with phenols.
• Authors of publication: Cui, Hai-Lei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 21
• Pages of publication: 4085 - 4089
• a: 11.695 ± 0.0005 Å
• b: 14.5145 ± 0.0005 Å
• c: 15.6982 ± 0.0007 Å
• α: 90°
• β: 107.486 ± 0.005°
• γ: 90°
• Cell volume: 2541.59 ± 0.19 ų
• Cell temperature: 99.98 ± 0.1 K
• Ambient diffraction temperature: 99.98 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0525
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No