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Information card for entry 7113808
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Coordinates | 7113808.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Paol02 |
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Formula | C18 H23 N O7 |
Calculated formula | C18 H23 N O7 |
SMILES | N1[C@H]2[C@@H](c3c(c(c4c(c3[C@H]1C(=O)OCC)OCO4)C)O)OC(OC2)(C)C |
Title of publication | Synthetic studies on ecteinascidin 743: rapid access to the fully functionalized tetrahydroisoquinoline with a bridged 10-membered sulfur containing macrocycleElectronic supplementary information (ESI) available: spectroscopic data for all new compounds and X-ray data for compound 14. See http://www.rsc.org/suppdata/cc/b3/b309824a/ |
Authors of publication | De Paolis, Micha�l; Chiaroni, Ang�le; Zhu, Jieping |
Journal of publication | Chemical Communications |
Year of publication | 2003 |
Journal issue | 23 |
Pages of publication | 2896 |
a | 5.513 ± 0.006 Å |
b | 12.528 ± 0.014 Å |
c | 26.192 ± 0.023 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1809 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.062 |
Residual factor for significantly intense reflections | 0.0457 |
Weighted residual factors for all reflections | 0.1441 |
Weighted residual factors for all reflections included in the refinement | 0.1042 |
Goodness-of-fit parameter for all reflections | 1.072 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
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/7113808.html
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