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Information card for entry 7241769
Preview
Coordinates | 7241769.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H68 Cl4 N4 O7 |
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Calculated formula | C64 H68 Cl4 N4 O7 |
Title of publication | Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties |
Authors of publication | Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro |
Journal of publication | CrystEngComm |
Year of publication | 2021 |
Journal volume | 23 |
Journal issue | 2 |
Pages of publication | 436 - 442 |
a | 17.1722 ± 0.0016 Å |
b | 11.3008 ± 0.001 Å |
c | 16.1727 ± 0.0015 Å |
α | 90° |
β | 117.16 ± 0.002° |
γ | 90° |
Cell volume | 2792.4 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0541 |
Residual factor for significantly intense reflections | 0.0463 |
Weighted residual factors for significantly intense reflections | 0.1454 |
Weighted residual factors for all reflections included in the refinement | 0.1665 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
261613 (current) | 2021-02-05 | cif/ Updating files of 7241768, 7241769, 7241770, 7241771, 7241772, 7241773 Original log message: Adding full bibliography for 7241768--7241773.cif. |
7241769.cif |
259742 | 2020-12-10 | cif/ Adding structures of 7241768, 7241769, 7241770, 7241771, 7241772, 7241773 via cif-deposit CGI script. |
7241769.cif |
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Users of the data should acknowledge the original authors of the
structural data.