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Information card for entry 1565078
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Coordinates | 1565078.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | tetrakis(4-metoxyhydroxyborylphenyl)adamantane water disolvate |
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Formula | C38 H48 B4 O10 |
Calculated formula | C38 H48 B4 O10 |
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 | 11.2591 ± 0.0007 Å |
b | 11.2591 ± 0.0007 Å |
c | 7.1282 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 903.62 ± 0.1 Å3 |
Cell temperature | 100.01 ± 0.1 K |
Ambient diffraction temperature | 100 ± 1 K |
Number of distinct elements | 4 |
Space group number | 81 |
Hermann-Mauguin space group symbol | P -4 |
Hall space group symbol | P -4 |
Residual factor for all reflections | 0.0741 |
Residual factor for significantly intense reflections | 0.064 |
Weighted residual factors for significantly intense reflections | 0.1759 |
Weighted residual factors for all reflections included in the refinement | 0.1872 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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