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Information card for entry 4511390
Preview
Coordinates | 4511390.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H13 N O |
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Calculated formula | C10 H13 N O |
SMILES | O=C(N)C(CC)c1ccccc1 |
Title of publication | Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide |
Authors of publication | Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2014 |
Journal volume | 14 |
Journal issue | 7 |
Pages of publication | 3360 |
a | 24.1972 ± 0.0016 Å |
b | 5.1143 ± 0.0003 Å |
c | 17.6687 ± 0.0012 Å |
α | 90° |
β | 121.267 ± 0.001° |
γ | 90° |
Cell volume | 1869 ± 0.2 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 | 0.053 |
Residual factor for significantly intense reflections | 0.0412 |
Weighted residual factors for significantly intense reflections | 0.1123 |
Weighted residual factors for all reflections included in the refinement | 0.1185 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4511390.html
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