Information card for entry 7244414

Structure parameters

• Formula: C27 H35 F N4 O5
• Calculated formula: C27 H35 F N4 O5
• Title of publication: Thermal Methods Usage Features for Multicomponent Crystals Screening
• Authors of publication: Boycov, Denis; Manin, Alex N.; Drozd, Ksenia V.; Andrei, Churakov; Perlovich, German L.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 9.3821 ± 0.0004 Å
• b: 10.9262 ± 0.0005 Å
• c: 13.5535 ± 0.0006 Å
• α: 80.9238 ± 0.0017°
• β: 79.5855 ± 0.0017°
• γ: 73.4672 ± 0.0018°
• Cell volume: 1301.64 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No