Information card for entry 2010714

Structure parameters

• Formula: C24 H19 N O
• Calculated formula: C24 H19 N O
• SMILES: o1c2c(n(c(c2c2c1cccc2)c1ccccc1)Cc1ccccc1)C
• Title of publication: A novel class of fused heterocycles, benzo[<i>b</i>]furo[2,3-<i>c</i>]pyrroles
• Authors of publication: Trujillo, Hernando A.; Simon, Wendy M.; Pelkey, Erin T.; Gribble, Gordon W.; Jasinski, Jerry P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 386 - 388
• a: 10.405 ± 0.002 Å
• b: 11.524 ± 0.002 Å
• c: 9.177 ± 0.002 Å
• α: 113.44 ± 0.01°
• β: 113.94 ± 0.02°
• γ: 93.94 ± 0.02°
• Cell volume: 887.3 ± 0.4 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.22
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.207
• Weighted residual factors for all reflections included in the refinement: 0.225
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No