Information card for entry 1508627

Structure parameters

• Formula: C22 H17 F N2 O
• Calculated formula: C22 H17 F N2 O
• SMILES: Fc1cc2c3C(=O)N(C4=CC(Cc(nc2cc1)c34)(C)C)c1ccccc1
• 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: 21.5 ± 0.005 Å
• b: 9.8086 ± 0.0019 Å
• c: 18.115 ± 0.004 Å
• α: 90°
• β: 116.131 ± 0.004°
• γ: 90°
• Cell volume: 3429.7 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No