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Information card for entry 7247595
Preview
Coordinates | 7247595.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H22 N2 O6 |
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Calculated formula | C22 H22 N2 O6 |
Title of publication | Multiple intermolecular interactions in guest inclusion by acyclic host compounds |
Authors of publication | Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro |
Journal of publication | CrystEngComm |
Year of publication | 2023 |
Journal volume | 25 |
Journal issue | 44 |
Pages of publication | 6137 - 6143 |
a | 6.6173 ± 0.0006 Å |
b | 13.6049 ± 0.0011 Å |
c | 20.3294 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1830.2 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 63 |
Hermann-Mauguin space group symbol | C m c m |
Hall space group symbol | -C 2c 2 |
Residual factor for all reflections | 0.0403 |
Residual factor for significantly intense reflections | 0.0389 |
Weighted residual factors for significantly intense reflections | 0.1129 |
Weighted residual factors for all reflections included in the refinement | 0.1149 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
288774 (current) | 2024-01-06 | cif/ Updating files of 7247591, 7247592, 7247593, 7247594, 7247595, 7247596 Original log message: Adding full bibliography for 7247591--7247596.cif. |
7247595.cif |
287151 | 2023-10-28 | cif/ Adding structures of 7247591, 7247592, 7247593, 7247594, 7247595, 7247596 via cif-deposit CGI script. |
7247595.cif |
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Users of the data should acknowledge the original authors of the
structural data.