Information card for entry 7152373

Structure parameters

• Formula: C19 H18 N O5 P
• Calculated formula: C19 H18 N O5 P
• SMILES: C12(C(=O)c3c(cccc3)N2C(=O)c2c1cccc2)P(=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: 8.569 ± 0.0002 Å
• b: 8.7336 ± 0.0002 Å
• c: 11.8798 ± 0.0003 Å
• α: 81.646 ± 0.001°
• β: 85.931 ± 0.001°
• γ: 88.264 ± 0.002°
• Cell volume: 877.23 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No