Information card for entry 7112896

Structure parameters

• Formula: C29 H25 N O7
• Calculated formula: C29 H25 N O7
• SMILES: N(=O)(=O)c1ccc(cc1)C1=CC=C2c3c(C1c1ccccc1)c(C)oc3CC(C2)(C(=O)OC)C(=O)OC
• Title of publication: Rhodium-catalyzed domino heterocyclization and [(3+2)+2] carbocyclization: construction of fused tricycloheptadienes.
• Authors of publication: Zhao, Wanxiang; Zhang, Junliang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 41
• Pages of publication: 7816 - 7818
• a: 7.9544 ± 0.0002 Å
• b: 11.8108 ± 0.0003 Å
• c: 14.0463 ± 0.0004 Å
• α: 92.296 ± 0.001°
• β: 106.149 ± 0.001°
• γ: 107.558 ± 0.001°
• Cell volume: 1197.37 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0417
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No