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Information card for entry 1506123
Preview
Coordinates | 1506123.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H46 N3 O9 |
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Calculated formula | C34 H46 N3 O9 |
SMILES | O=C1N2c3c(OC)cccc3[C@@]3(O)CCN([C@@H](CC1)[C@@]23c1c(O)c(OC)c2N(CCc2c1)C)C(=O)OC(C)(C)C.CCO[C@H](C)O.O=C1N2c3c(OC)cccc3[C@]3(O)CCN([C@H](CC1)[C@]23c1c(O)c(OC)c2N(CCc2c1)C)C(=O)OC(C)(C)C.CCO[C@@H](C)O |
Title of publication | Studies of new indole alkaloid coupling methods for the synthesis of haplophytine. |
Authors of publication | Rege, Pankaj D.; Tian, Yuan; Corey, E. J. |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 14 |
Pages of publication | 3117 - 3120 |
a | 31.189 ± 0.005 Å |
b | 16.501 ± 0.003 Å |
c | 14.102 ± 0.002 Å |
α | 90° |
β | 113.036 ± 0.004° |
γ | 90° |
Cell volume | 6678.9 ± 1.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1465 |
Residual factor for significantly intense reflections | 0.0514 |
Weighted residual factors for significantly intense reflections | 0.085 |
Weighted residual factors for all reflections included in the refinement | 0.0966 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.851 |
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/1506123.html
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Users of the data should acknowledge the original authors of the
structural data.