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Information card for entry 4518840
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Coordinates | 4518840.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H22 |
---|---|
Calculated formula | C34 H22 |
Title of publication | Stimuli-Responsive Trimorphs and Charge-Transfer Complexes of a Twisted Molecular Donor. |
Authors of publication | Barman, Debasish; Gopikrishna, Peddaboodi; Iyer, Parameswar Krishnan |
Journal of publication | Langmuir : the ACS journal of surfaces and colloids |
Year of publication | 2021 |
a | 10.7726 ± 0.0004 Å |
b | 17.6372 ± 0.0007 Å |
c | 23.6168 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4487.2 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 2 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0869 |
Residual factor for significantly intense reflections | 0.0503 |
Weighted residual factors for significantly intense reflections | 0.1386 |
Weighted residual factors for all reflections included in the refinement | 0.1708 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.932 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
266704 (current) | 2021-06-26 | cif/ Adding structures of 4518840 via cif-deposit CGI script. |
4518840.cif |
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Users of the data should acknowledge the original authors of the
structural data.