Information card for entry 1508651

Structure parameters

• Formula: C27 H25 N O3
• Calculated formula: C27 H25 N O3
• SMILES: O(C)c1ccc(cc1)C1c2ccccc2c2n(c3c(c12)cccc3)C(=O)OC(C)(C)C
• Title of publication: Heterobimetallic Pd-Sn catalysis: a Suzuki, tandem ring-closing sequence toward indeno[2,1-b]thiophenes and indeno[2,1-b]indoles
• Authors of publication: Das, Debjit; Pratihar, Sanjay; Roy, Sujit
• Journal of publication: Organic Letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 4870 - 4873
• a: 9.6431 ± 0.0013 Å
• b: 19.913 ± 0.003 Å
• c: 11.4754 ± 0.0015 Å
• α: 90°
• β: 95.085 ± 0.004°
• γ: 90°
• Cell volume: 2194.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.4132
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No