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Information card for entry 1507483
Preview
Coordinates | 1507483.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Chemical name | (2aR,7S,7aS,7bR)-7-bromo-7-{[(4aS,5S,6S,8aR)-1,2,3,4,4a,5,6,8a-Octahydro- 6-methylnaphthalene-5-yl]-oxomethyl}-2,2a,3,4,6,7,7a,7b-octahydro- 7b-hydroxy-furo[2,3,4-gh]pyrrolizine-2,6-dione |
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Formula | C20 H24 Br N O5 |
Calculated formula | C20 H24 Br N O5 |
SMILES | O1C(=O)[C@@H]2CCN3C(=O)[C@]([C@H]1[C@]23O)(C(=O)[C@H]1[C@H](C=C[C@H]2CCCC[C@H]12)C)Br |
Title of publication | UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies |
Authors of publication | Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka |
Journal of publication | Organic Letters |
Year of publication | 2002 |
Journal volume | 4 |
Journal issue | 25 |
Pages of publication | 4387 |
a | 6.723 ± 0.0003 Å |
b | 9.4873 ± 0.0002 Å |
c | 31.0788 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1982.3 ± 0.12 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0865 |
Residual factor for significantly intense reflections | 0.0561 |
Weighted residual factors for all reflections | 0.1467 |
Weighted residual factors for significantly intense reflections | 0.1262 |
Goodness-of-fit parameter for all reflections | 1.042 |
Goodness-of-fit parameter for significantly intense reflections | 1.076 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1507483.html
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structural data.