Information card for entry 1505261

Structure parameters

• Formula: C20 H16 N2
• Calculated formula: C20 H16 N2
• SMILES: n12c(N(c3ccccc3)c3ccccc3)ccc1cccc2
• Title of publication: General and direct synthesis of 3-aminoindolizines and their analogues via Pd/Cu-catalyzed sequential cross-coupling/cycloisomerization reactions.
• Authors of publication: Liu, Yuanhong; Song, Zhiquan; Yan, Bin
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 409 - 412
• a: 8.6574 ± 0.0011 Å
• b: 6.3454 ± 0.0008 Å
• c: 14.4396 ± 0.0018 Å
• α: 90°
• β: 102.638 ± 0.002°
• γ: 90°
• Cell volume: 774.02 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No