Information card for entry 7245342

Structure parameters

• Chemical name: 5,12-Difluoro-2,9-bis((1-hydroxy-2-methylpropan-2-yl)iminio)-6,6,13,13-tetramethyl-2H,6H,9H,13H-1,7,8,14,15-pentaoxa-6,13-disila-7a,14a-dibora-7a,14a-methanocyclodeca[1,2,3-cd:6,7,8-cd]diindene-7a,14a-diuide
• Formula: C29 H45 B2 F2 N2 O10 Si2
• Calculated formula: C29 H45 B2 F2 N2 O10 Si2
• Title of publication: Oxazoline scaffold in synthesis of benzosiloxaboroles and related ring-expanded heterocycles: diverse reactivity, structural peculiarities and antimicrobial activity
• Authors of publication: Krajewska, Joanna; Nowicki, Krzysztof; Durka, Krzysztof; Marek-Urban, Paulina H.; Wińska, Patrycja; Stępniewski, Tomasz; Woźniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 36
• Pages of publication: 23099 - 23117
• a: 10.1514 ± 0.0002 Å
• b: 11.8762 ± 0.0003 Å
• c: 16.5964 ± 0.0003 Å
• α: 106.057 ± 0.002°
• β: 90.992 ± 0.002°
• γ: 114.642 ± 0.002°
• Cell volume: 1727.43 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No