Information card for entry 4024805

Structure parameters

• Formula: C22 H17 N O
• Calculated formula: C22 H17 N O
• SMILES: [nH]1c(c(C2c3c(Oc4c2cccc4)cccc3)c2c1cccc2)C
• Title of publication: Iron-Catalyzed Cascade Arene-Aldehyde Addition/Cyclizations for the Highly Efficient Synthesis of Xanthenes and Its Analogous: Observation of a C-C Bond Cleavage in Indole-Based Triarylmethanes
• Authors of publication: Hongfeng Li; Jingyu Yang; Yuanhong Liu; Yanzhong Li
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 6797 - 6801
• a: 16.272 ± 0.003 Å
• b: 10.2332 ± 0.0019 Å
• c: 20.054 ± 0.004 Å
• α: 90°
• β: 97.509 ± 0.005°
• γ: 90°
• Cell volume: 3310.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.161
• Residual factor for significantly intense reflections: 0.1044
• Weighted residual factors for significantly intense reflections: 0.3077
• Weighted residual factors for all reflections included in the refinement: 0.3351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No