Information card for entry 7152376

Structure parameters

• Formula: C11 H5 Cl2 N O2
• Calculated formula: C11 H5 Cl2 N O2
• SMILES: C1(=O)C(=C(c2c(c3c(cccc3)n12)O)Cl)Cl
• 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: 3.7524 ± 0.0007 Å
• b: 12.666 ± 0.003 Å
• c: 21.009 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 998.5 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P 21 n b
• Hall space group symbol: P -2bc 2a
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.2141
• Weighted residual factors for all reflections included in the refinement: 0.226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No