Information card for entry 7157678

Structure parameters

• Formula: C27.5 H31 F N7 O4 S
• Calculated formula: C27.5 H31 F N7 O4 S
• Title of publication: Diastereodivergent synthesis of dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties.
• Authors of publication: Izmest'ev, Alexei N.; Gazieva, Galina A.; Karnoukhova, Valentina A.; Kravchenko, Angelina N.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 35
• Pages of publication: 6905 - 6911
• a: 13.4741 ± 0.0004 Å
• b: 13.4934 ± 0.0004 Å
• c: 15.7758 ± 0.0005 Å
• α: 84.2195 ± 0.0007°
• β: 85.3686 ± 0.0007°
• γ: 76.9008 ± 0.0007°
• Cell volume: 2774.41 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0581
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No