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Information card for entry 8107074
Preview
Coordinates | 8107074.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H29 N3 S |
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Calculated formula | C21 H29 N3 S |
Title of publication | Crystal structure of N-(adamantan-1-yl)-4-phenylpiperazine-1-carbothioamide, C21H29N3S |
Authors of publication | Al-Abdullah, Ebtehal S.; Ghabbour, Hazem A.; Alkahtani, Hamad M.; Al-Tamimi, Abdul-Malek S.; El-Emam, Ali A. |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2016 |
Journal volume | 231 |
Journal issue | 3 |
Pages of publication | 991 - 993 |
a | 9.8658 ± 0.0007 Å |
b | 11.7298 ± 0.0009 Å |
c | 31.96 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3698.5 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0703 |
Residual factor for significantly intense reflections | 0.0644 |
Weighted residual factors for significantly intense reflections | 0.1631 |
Weighted residual factors for all reflections included in the refinement | 0.1684 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/8107074.html
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Users of the data should acknowledge the original authors of the
structural data.