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Information card for entry 7245707
Preview
Coordinates | 7245707.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H16 N |
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Calculated formula | C15 H16 N |
Title of publication | Solid-state stability of Z’ < 1 and Z’ = 2 polymorphs of N,N,N’,N’-tetrabenzylethylenediamine: a combined experimental and theoretical study. |
Authors of publication | Wang, Zhen; Cui, Xiaoxiao; Famulari, Antonino; Marti-Rujas, Javier; Kariuki, Benson; Guo, Fang |
Journal of publication | CrystEngComm |
Year of publication | 2022 |
a | 6.356 ± 0.004 Å |
b | 9.042 ± 0.006 Å |
c | 11.117 ± 0.007 Å |
α | 76.992 ± 0.008° |
β | 86.676 ± 0.007° |
γ | 79.275 ± 0.008° |
Cell volume | 611.5 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.106 |
Residual factor for significantly intense reflections | 0.0464 |
Weighted residual factors for significantly intense reflections | 0.1249 |
Weighted residual factors for all reflections included in the refinement | 0.1497 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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278718 (current) | 2022-10-22 | cif/ Adding structures of 7245706, 7245707 via cif-deposit CGI script. |
7245707.cif |
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Users of the data should acknowledge the original authors of the
structural data.