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Information card for entry 4113811
Preview
Coordinates | 4113811.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H58 Cl3 N6 O10.5 |
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Calculated formula | C44 H56 Cl3 N6 O10.5 |
SMILES | ClC(Cl)Cl.O=C1N(C)[C@H]2Cc3ccc(Oc4c(OC)ccc(c4)C[C@H](N(C)C2=O)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](Cc2ccc(OC)cc2)C(=O)N[C@H]1C)cc3.O.OCC |
Title of publication | Synthesis of [l-Ala-1]RA-VII, [d-Ala-2]RA-VII, and [d-Ala-4]RA-VII by Epimerization of RA-VII, an Antitumor Bicyclic Hexapeptide from Rubia Plants, through Oxazoles |
Authors of publication | Yukio Hitotsuyanagi; Shin-ichi Sasaki; Yuji Matsumoto; Kentaro Yamaguchi; Hideji Itokawa; Koichi Takeya |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2003 |
Journal volume | 125 |
Pages of publication | 7284 - 7290 |
a | 29.537 ± 0.006 Å |
b | 13.325 ± 0.001 Å |
c | 12.187 ± 0.002 Å |
α | 90° |
β | 93.68 ± 0.01° |
γ | 90° |
Cell volume | 4786.7 ± 1.3 Å3 |
Cell temperature | 296.2 K |
Number of distinct elements | 5 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for significantly intense reflections | 0.066 |
Weighted residual factors for all reflections included in the refinement | 0.0639 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.221 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4113811.html
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