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Information card for entry 4516398
Preview
Coordinates | 4516398.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H23 Cl2 N3 O3 |
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Calculated formula | C29 H23 Cl2 N3 O3 |
Title of publication | Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors |
Authors of publication | Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2015 |
Journal volume | 15 |
Journal issue | 8 |
Pages of publication | 3561 |
a | 9.2013 ± 0.0013 Å |
b | 11.9564 ± 0.0017 Å |
c | 12.7583 ± 0.0018 Å |
α | 67.182 ± 0.003° |
β | 80.328 ± 0.003° |
γ | 74.476 ± 0.003° |
Cell volume | 1243.3 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0509 |
Residual factor for significantly intense reflections | 0.0439 |
Weighted residual factors for significantly intense reflections | 0.1072 |
Weighted residual factors for all reflections included in the refinement | 0.1118 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
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/4516398.html
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Users of the data should acknowledge the original authors of the
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