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Information card for entry 1572007
Preview
Coordinates | 1572007.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H50 |
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Calculated formula | C46 H50 |
Title of publication | Heptacyclic aromatic hydrocarbon isomers with two azulene units fused. |
Authors of publication | Guo, Jianwen; Du, Fangxin; Yu, Bo; Du, Pengcheng; Li, Haoyuan; Zhang, Jianhua; Xin, Hanshen |
Journal of publication | Chemical science |
Year of publication | 2024 |
Journal volume | 15 |
Journal issue | 31 |
Pages of publication | 12589 - 12597 |
a | 5.4401 ± 0.0002 Å |
b | 9.123 ± 0.0003 Å |
c | 17.9486 ± 0.0006 Å |
α | 101.504 ± 0.003° |
β | 95.881 ± 0.002° |
γ | 94.474 ± 0.002° |
Cell volume | 863.86 ± 0.05 Å3 |
Cell temperature | 193 K |
Ambient diffraction temperature | 193 K |
Number of distinct elements | 2 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0631 |
Residual factor for significantly intense reflections | 0.0479 |
Weighted residual factors for significantly intense reflections | 0.1288 |
Weighted residual factors for all reflections included in the refinement | 0.1381 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
294479 (current) | 2024-09-06 | cif/ Updating files of 1572007 Original log message: Adding full bibliography for 1572007.cif. |
1572007.cif |
292643 | 2024-06-29 | cif/ Adding structures of 1572007 via cif-deposit CGI script. |
1572007.cif |
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