Information card for entry 1565082

Structure parameters

• Chemical name: tetrakis(4-dihydroxyborylphenyl)adamantane dimethylformamide tetrasolvate
• Formula: C46 H63 B4 N4 O12
• Calculated formula: C46 H63 B4 N4 O12
• Title of publication: Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton
• Authors of publication: Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 46
• Pages of publication: 8169 - 8182
• a: 30.202 ± 0.013 Å
• b: 7.1631 ± 0.0002 Å
• c: 25.857 ± 0.005 Å
• α: 90°
• β: 117.95 ± 0.04°
• γ: 90°
• Cell volume: 4941 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 0.02 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.2133
• Weighted residual factors for all reflections included in the refinement: 0.2391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No