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Information card for entry 1565082
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Coordinates | 1565082.cif |
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Original paper (by DOI) | HTML |
Chemical name | tetrakis(4-dihydroxyborylphenyl)adamantane dimethylformamide tetrasolvate |
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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 Å3 |
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 |
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