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Information card for entry 7241578
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7241578.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | bis-hexamethylenetetramine succinic acid |
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Formula | C16 H30 N8 O4 |
Calculated formula | C16 H30 N8 O4 |
Title of publication | Crystallisation of organic salts by sublimation: salt formation from the gas phase |
Authors of publication | Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A. |
Journal of publication | CrystEngComm |
Year of publication | 2020 |
Journal volume | 22 |
Journal issue | 45 |
Pages of publication | 7826 - 7831 |
a | 21.654 ± 0.003 Å |
b | 6.948 ± 0.001 Å |
c | 25.748 ± 0.004 Å |
α | 90° |
β | 101.148 ± 0.002° |
γ | 90° |
Cell volume | 3800.7 ± 1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0491 |
Residual factor for significantly intense reflections | 0.0444 |
Weighted residual factors for significantly intense reflections | 0.1225 |
Weighted residual factors for all reflections included in the refinement | 0.1267 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7241578.html
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Users of the data should acknowledge the original authors of the
structural data.