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Information card for entry 4516399
Preview
Coordinates | 4516399.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H26 N2 O5 |
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Calculated formula | C33 H26 N2 O5 |
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 | 9.6779 ± 0.0008 Å |
b | 9.7233 ± 0.0008 Å |
c | 15.3703 ± 0.0012 Å |
α | 87.907 ± 0.002° |
β | 86.025 ± 0.002° |
γ | 63.842 ± 0.002° |
Cell volume | 1295.08 ± 0.18 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0658 |
Residual factor for significantly intense reflections | 0.0418 |
Weighted residual factors for significantly intense reflections | 0.0881 |
Weighted residual factors for all reflections included in the refinement | 0.0959 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.958 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4516399.html
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Users of the data should acknowledge the original authors of the
structural data.