Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4109428
Preview
| Coordinates | 4109428.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C51 H59 N2 O10 |
|---|---|
| Calculated formula | C51 H59 N2 O10 |
| Title of publication | Syntheses of the Eastern Halves of Ritterazines B, F, G, and H, Leading to Reassignment of the 5,5-Spiroketal Stereochemistry of Ritterazines B and F |
| Authors of publication | Scott T. Phillips; Matthew D. Shair |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 6589 - 6598 |
| a | 38.367 ± 0.014 Å |
| b | 6.363 ± 0.003 Å |
| c | 23.663 ± 0.009 Å |
| α | 90° |
| β | 100.016 ± 0.008° |
| γ | 90° |
| Cell volume | 5689 ± 4 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.1219 |
| Residual factor for significantly intense reflections | 0.1044 |
| Weighted residual factors for significantly intense reflections | 0.2785 |
| Weighted residual factors for all reflections included in the refinement | 0.2915 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4109428.cif |
| 178840 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/94. |
4109428.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109428.cif |
| 58202 | 2012-05-25 | cif/ Adding structures of 4109428 via cif-deposit CGI script. |
4109428.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.