Information card for entry 7243255

Structure parameters

• Formula: C64 H72 B8 Cl8 F16 K10 O29 Si8
• Calculated formula: C64 H72 B8 Cl8 F16 K10 O29 Si8
• 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: 16.7599 ± 0.0004 Å
• b: 16.7599 ± 0.0004 Å
• c: 19.4746 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5470.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 84
• Hermann-Mauguin space group symbol: P 42/m
• Hall space group symbol: -P 4c
• Residual factor for all reflections: 0.2627
• Residual factor for significantly intense reflections: 0.26
• Weighted residual factors for significantly intense reflections: 0.469
• Weighted residual factors for all reflections included in the refinement: 0.4704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No