Information card for entry 7152374

Structure parameters

• Formula: C23 H20 N O5 P
• Calculated formula: C23 H20 N O5 P
• SMILES: c1(c2c(cccc2)n2c1c1cccc3c1c(c2=O)ccc3)OP(=O)(OCC)OCC
• Title of publication: A novel approach to isoindolo[2,1-a]indol-6-ones.
• Authors of publication: Duncanson, Philip; Cheong, Yuen-Ki; Motevalli, Majid; Griffiths, D. Vaughan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 21
• Pages of publication: 4266 - 4279
• a: 22.2526 ± 0.0005 Å
• b: 7.0132 ± 0.0002 Å
• c: 25.1963 ± 0.0006 Å
• α: 90°
• β: 106.297 ± 0.002°
• γ: 90°
• Cell volume: 3774.19 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No