Information card for entry 1508628

Structure parameters

• Formula: C20 H10 Cl F N2 O
• Calculated formula: C20 H10 Cl F N2 O
• SMILES: Clc1c(N2C(=O)c3c4cc(F)ccc4nc4cccc2c34)cccc1
• Title of publication: An efficient synthesis of pyrrolo[2,3,4-kl]acridin-1-one derivatives catalyzed by L-proline.
• Authors of publication: Wang, Huiyuan; Li, Lili; Lin, Wei; Xu, Pan; Huang, Zhibin; Shi, Daqing
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 4598 - 4601
• a: 8.3506 ± 0.0006 Å
• b: 8.5287 ± 0.0006 Å
• c: 12.1084 ± 0.001 Å
• α: 94.429 ± 0.006°
• β: 100.123 ± 0.007°
• γ: 114.107 ± 0.007°
• Cell volume: 764.16 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No