Information card for entry 7160447

Structure parameters

• Formula: C15 H23 Cl2 Fe N3 O2
• Calculated formula: C15 H23 Cl2 Fe N3 O2
• Title of publication: Iron-catalyzed peroxidation of fluorenes and 9-alkyl-9<i>H</i>-fluorenes and oxidative cleavage of the CC bond in 9-alkylidene-fluorenes.
• Authors of publication: Saha, Ratnakar; Hembram, Bhairab Chand; Panda, Asutosh; Bagh, Bidraha
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 17
• Pages of publication: 4232 - 4239
• a: 10.2505 ± 0.0003 Å
• b: 14.1312 ± 0.0004 Å
• c: 12.6158 ± 0.0003 Å
• α: 90°
• β: 92.263 ± 0.003°
• γ: 90°
• Cell volume: 1826 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0448
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No