Information card for entry 1548784

Structure parameters

• Formula: C39.1 H24.5 Fe3 N2.1 O15.7
• Calculated formula: C39.1 H24.5 Fe3 N2.1 O15.7
• Title of publication: A new transformation of coumarins via direct C‒H bond activation utilizing an iron‒organic framework as a recyclable catalyst
• Authors of publication: Pham, Phuc H.; Doan, Son H.; Tran, Hang T. T.; Nguyen, Ngoc N.; Phan, Anh N. Q.; Le, Ha V.; Tu, Thach N.; Phan, Nam T. S.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 1267
• a: 12.6797 ± 0.0003 Å
• b: 13.5123 ± 0.0004 Å
• c: 23.948 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4103.1 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1408
• Residual factor for significantly intense reflections: 0.1027
• Weighted residual factors for significantly intense reflections: 0.243
• Weighted residual factors for all reflections included in the refinement: 0.2701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No