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Information card for entry 1507467
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Coordinates | 1507467.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C26 H40 O2 |
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Calculated formula | C26 H40 O2 |
SMILES | O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@H](C)[C@H](O)C/C=C/C)C)C |
Title of publication | Stereocontrolled Synthesis of Linear 22R-Homoallylic Sterols via a Triflic Acid-Catalyzed 2-Oxonia Cope Rearrangement |
Authors of publication | Loh, Teck-Peng; Hu, Qi-Ying; Ma, Li-Ting |
Journal of publication | Organic Letters |
Year of publication | 2002 |
Journal volume | 4 |
Journal issue | 14 |
Pages of publication | 2389 |
a | 7.1993 ± 0.0003 Å |
b | 10.0365 ± 0.0004 Å |
c | 31.1705 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2252.25 ± 0.16 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0421 |
Residual factor for significantly intense reflections | 0.0346 |
Weighted residual factors for significantly intense reflections | 0.0746 |
Weighted residual factors for all reflections included in the refinement | 0.0782 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1507467.cif |
176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1507467.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507467.cif |
53988 | 2012-04-20 | cif/ Adding structures of 1507467 via cif-deposit CGI script. |
1507467.cif |
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Users of the data should acknowledge the original authors of the
structural data.