Information card for entry 7155070

Structure parameters

• Formula: C41 H32 N2 O2
• Calculated formula: C41 H32 N2 O2
• SMILES: o1c2c(cc(c1=O)C(c1c3c(n(c1)Cc1ccccc1)cccc3)(c1c3c(n(c1)Cc1ccccc1)cccc3)C)cccc2
• Title of publication: A FeCl3-catalyzed highly regioselective 1,2-addition/substitution sequence for the construction of coumarin-substituted bis(indolyl)methanes.
• Authors of publication: Wang, Wen-Bo; Zhu, Yan-Shuo; Guo, Sheng-Qiang; Wang, Qi-Lin; Bu, Zhan-Wei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 4420 - 4425
• a: 11.9786 ± 0.0015 Å
• b: 12.3683 ± 0.0016 Å
• c: 12.7772 ± 0.0017 Å
• α: 76.842 ± 0.002°
• β: 66.138 ± 0.002°
• γ: 62.478 ± 0.002°
• Cell volume: 1533.3 ± 0.3 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: 0.0533
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No