Information card for entry 7243253

Structure parameters

• Formula: C60 H52 B4 Cl4 F12 O20 S4 Si4
• Calculated formula: C60 H52 B4 Cl4 F12 O20 S4 Si4
• Title of publication: Development of structurally extended benzosiloxaboroles ‒ synthesis and in vitro biological evaluation
• Authors of publication: Pacholak, P.; Krajewska, J.; Wińska, P.; Dunikowska, J.; Gogowska, U.; Mierzejewska, J.; Durka, K.; Woźniak, K.; Laudy, A. E.; Luliński, S.
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 41
• Pages of publication: 25104 - 25121
• a: 15.639 ± 0.006 Å
• b: 7.9654 ± 0.0006 Å
• c: 16.704 ± 0.011 Å
• α: 90°
• β: 116.4 ± 0.08°
• γ: 90°
• Cell volume: 1863.8 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 8
• 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: 0.097
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No