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Information card for entry 7118012
Preview
Coordinates | 7118012.cif |
---|---|
Original paper (by DOI) | HTML |
External links | PubChem |
Formula | C54 H64 Au P |
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Calculated formula | C54 H64 Au P |
Title of publication | Steric control of the in/out sense of bridgehead substituents in macrobicyclic compounds: isolation of new 'crossed chain' variants of in/out isomers |
Authors of publication | Michael Stollenz; Deeb Taher; Nattamai Bhuvanesh; Joseph H. Reibenspies; Zuzana Baranova; John A. Gladysz |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 16053 |
a | 12.8975 ± 0.001 Å |
b | 12.5051 ± 0.0009 Å |
c | 28.706 ± 0.003 Å |
α | 90° |
β | 90.438 ± 0.006° |
γ | 90° |
Cell volume | 4629.7 ± 0.7 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0742 |
Residual factor for significantly intense reflections | 0.047 |
Weighted residual factors for significantly intense reflections | 0.1042 |
Weighted residual factors for all reflections included in the refinement | 0.1096 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7118012.cif |
176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7118012.cif |
169890 | 2015-10-30 | cif/ Adding structures of 7118012, 7118013, 7118014 via cif-deposit CGI script. |
7118012.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.