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Information card for entry 4513546
Preview
| Coordinates | 4513546.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H33 B F2 I2 N2 O |
|---|---|
| Calculated formula | C27 H33 B F2 I2 N2 O |
| Title of publication | Dye Encapsulation in Polynorbornene Micelles. |
| Authors of publication | Bell, Nia C.; Doyle, Samantha J.; Battistelli, Giulia; LeGuyader, Clare L. M.; Thompson, Matthew P.; Poe, Ambata M.; Rheingold, Arnold; Moore, Curtis; Montalti, Marco; Thayumanavan, S.; Tauber, Michael J.; Gianneschi, Nathan C. |
| Journal of publication | Langmuir : the ACS journal of surfaces and colloids |
| Year of publication | 2015 |
| Journal volume | 31 |
| Journal issue | 35 |
| Pages of publication | 9707 - 9717 |
| a | 9.0317 ± 0.0006 Å |
| b | 11.6572 ± 0.0009 Å |
| c | 13.7558 ± 0.0012 Å |
| α | 99.386 ± 0.003° |
| β | 101.188 ± 0.003° |
| γ | 102.814 ± 0.003° |
| Cell volume | 1352.82 ± 0.18 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0346 |
| Residual factor for significantly intense reflections | 0.0278 |
| Weighted residual factors for significantly intense reflections | 0.0676 |
| Weighted residual factors for all reflections included in the refinement | 0.0742 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4513546.cif |
| 160556 | 2015-10-06 | cif/ Updating files of 4513546 Original log message: Adding full bibliography for 4513546.cif. |
4513546.cif |
| 153688 | 2015-08-27 | cif/ Adding structures of 4513546 via cif-deposit CGI script. |
4513546.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.