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Information card for entry 4021350
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Coordinates | 4021350.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Chemical name | N-[(2S,3S methyl), 2-[2'-benzyloxy-1'R-tert-butyl silyloxyl)ethyl]pentanoyl] borane-10,2-sultam |
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Formula | C31 H51 N O5 S Si |
Calculated formula | C31 H51 N O5 S Si |
SMILES | [Si](O[C@H]([C@@H](C(=O)N1S(=O)(=O)C[C@]23[C@H]1C[C@H](C2(C)C)CC3)[C@H](CC)C)COCc1ccccc1)(C(C)(C)C)(C)C |
Title of publication | Oppolzer Sultam Directed Aldol as a Key Step for the Stereoselective Syntheses of Antitumor Antibiotic Belactosin C and Its Synthetic Congeners |
Authors of publication | Gullapalli Kumaraswamy; Mogilisetti Padmaja; Bekkam Markondaiah; Nivedita Jena; Balasubramanian Sridhar; Marelli Udaya Kiran |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2006 |
Journal volume | 71 |
Pages of publication | 337 - 340 |
a | 7.9161 ± 0.0007 Å |
b | 14.7653 ± 0.0013 Å |
c | 14.1615 ± 0.0013 Å |
α | 90° |
β | 97.593 ± 0.002° |
γ | 90° |
Cell volume | 1640.7 ± 0.3 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0523 |
Residual factor for significantly intense reflections | 0.0469 |
Weighted residual factors for significantly intense reflections | 0.1108 |
Weighted residual factors for all reflections included in the refinement | 0.1149 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4021350.html
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Users of the data should acknowledge the original authors of the
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