Information card for entry 7160618

Structure parameters

• Formula: C24 H24 F N3 O5 S
• Calculated formula: C24 H24 F N3 O5 S
• Title of publication: UV-assisted rearrangement of substituted 3-arylaminopyrazoles with an allomaltol fragment into tricyclic cyclopenta[4,5]pyrrolo[2,3-<i>c</i>]pyrazole derivatives.
• Authors of publication: Komogortsev, Andrey N.; Milyutin, Constantine V.; Lichitsky, Boris V.; Migulin, Vasily A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 28
• Pages of publication: 6738 - 6744
• a: 10.4253 ± 0.0003 Å
• b: 10.7006 ± 0.0003 Å
• c: 11.1367 ± 0.0003 Å
• α: 95.717 ± 0.002°
• β: 91.608 ± 0.002°
• γ: 110.539 ± 0.003°
• Cell volume: 1154.97 ± 0.06 ų
• Cell temperature: 99.98 ± 0.1 K
• Ambient diffraction temperature: 99.98 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No