Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7247592
Preview
Coordinates | 7247592.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H28 N2 O8 |
---|---|
Calculated formula | C25 H28 N2 O8 |
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 | 7.0715 ± 0.001 Å |
b | 10.4603 ± 0.0014 Å |
c | 15.71 ± 0.002 Å |
α | 95.12 ± 0.004° |
β | 94.102 ± 0.005° |
γ | 99.743 ± 0.004° |
Cell volume | 1136.3 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0501 |
Residual factor for significantly intense reflections | 0.0462 |
Weighted residual factors for significantly intense reflections | 0.1347 |
Weighted residual factors for all reflections included in the refinement | 0.1389 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
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. |
7247592.cif |
287151 | 2023-10-28 | cif/ Adding structures of 7247591, 7247592, 7247593, 7247594, 7247595, 7247596 via cif-deposit CGI script. |
7247592.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.