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Information card for entry 7247185
Preview
| Coordinates | 7247185.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H108 N3 Na O15 S3 |
|---|---|
| Calculated formula | C51 H108 N3 Na O15 S3 |
| Title of publication | Crystal structure, molecular packing, and intermolecular interactions of N-pentadecanoyltaurine and N-acyltaurine's interaction with cholesterol |
| Authors of publication | Arul Prakash, Sukanya; Chinapaka, Ravindar; John, Martin Luther; Dey, Somnath; Kamlekar, Ravi Kanth |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 37 |
| Pages of publication | 5286 - 5295 |
| a | 5.3204 ± 0.0002 Å |
| b | 13.5037 ± 0.0009 Å |
| c | 43.718 ± 0.002 Å |
| α | 82.294 ± 0.005° |
| β | 89.769 ± 0.004° |
| γ | 89.83 ± 0.004° |
| Cell volume | 3112.5 ± 0.3 Å3 |
| Cell temperature | 105 ± 7 K |
| Ambient diffraction temperature | 105 ± 7 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.279 |
| Residual factor for significantly intense reflections | 0.1111 |
| Weighted residual factors for significantly intense reflections | 0.2334 |
| Weighted residual factors for all reflections included in the refinement | 0.3161 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.932 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286723 (current) | 2023-10-06 | cif/ Updating files of 7247185 Original log message: Adding full bibliography for 7247185.cif. |
7247185.cif |
| 285629 | 2023-08-12 | cif/ Adding structures of 7247185 via cif-deposit CGI script. |
7247185.cif |
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Users of the data should acknowledge the original authors of the
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