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Information card for entry 1506124
Preview
Coordinates | 1506124.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27.5 H28 Cl4 I N3 O4 |
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Calculated formula | C27.5 H28 Cl4 I N3 O4 |
SMILES | ClC(Cl)(Cl)C(=O)N1C2(C=CC(=O)n3c2c(CC1)c1c3c(OC)ccc1)c1c(OC)cc([N+](C)(C)C)cc1.[I-].ClCCl |
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 | 20.041 ± 0.008 Å |
b | 9.284 ± 0.004 Å |
c | 21.351 ± 0.008 Å |
α | 90° |
β | 104.917 ± 0.007° |
γ | 90° |
Cell volume | 3839 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/c 1 |
Hall space group symbol | -P 2yc |
Residual factor for all reflections | 0.1665 |
Residual factor for significantly intense reflections | 0.0746 |
Weighted residual factors for significantly intense reflections | 0.2419 |
Weighted residual factors for all reflections included in the refinement | 0.2622 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.944 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1506124.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1506124.cif |
48015 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506124 via cif-deposit CGI script. |
1506124.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.