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Information card for entry 4021352
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4021352.cif |
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Original paper (by DOI) | HTML |
External links | ChemSpider |
Chemical name | N-[(2R)-2-[2'-benzyloxy-1'R-hydroxy)ethy]pentanoyl]borane-10,2-sultam |
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Formula | C24 H35 N O5 S |
Calculated formula | C24 H35 N O5 S |
SMILES | S1(=O)(=O)N(C(=O)[C@H]([C@H](O)COCc2ccccc2)CCC)[C@@H]2[C@]3(C1)C([C@H](C2)CC3)(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 | 11.1859 ± 0.0009 Å |
b | 18.5274 ± 0.0015 Å |
c | 12.1749 ± 0.001 Å |
α | 90° |
β | 103.256 ± 0.001° |
γ | 90° |
Cell volume | 2456 ± 0.3 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0832 |
Residual factor for significantly intense reflections | 0.0577 |
Weighted residual factors for significantly intense reflections | 0.1463 |
Weighted residual factors for all reflections included in the refinement | 0.1703 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
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/4021352.html
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Users of the data should acknowledge the original authors of the
structural data.