Information card for entry 4021941
Chemical name |
(1S,4S,4aR,5R,6S,7S,8aR)-1-Methoxy-4-methoxymethoxy-1,5,7,8a-tetramethyl- 4a,5,6,7,8,8a-hexahydroisochroman-6-ol |
Formula |
C16 H30 O5 |
Calculated formula |
C16 H30 O5 |
SMILES |
O([C@]1(OC[C@@H](OCOC)[C@H]2[C@]1(C[C@@H]([C@H](O)[C@@H]2C)C)C)C)C |
Title of publication |
Synthetic Studies toward GKK1032s, Novel Antibiotic Antitumor Agents: Enantioselective Synthesis of the Fully Elaborated Tricyclic Core via an Intramolecular Diels-Alder Cycloaddition |
Authors of publication |
Asano, Moriteru; Inoue, Munenori; Watanabe, Kazuhiro; Abe, Hideki; Katoh, Tadashi |
Journal of publication |
Journal of Organic Chemistry |
Year of publication |
2006 |
Journal volume |
71 |
Journal issue |
18 |
Pages of publication |
6942 - 6951 |
a |
11.195 ± 0.003 Å |
b |
15.666 ± 0.006 Å |
c |
9.728 ± 0.003 Å |
α |
90 ± 0° |
β |
90 ± 0° |
γ |
90 ± 0° |
Cell volume |
1706.1 ± 0.9 Å3 |
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 significantly intense reflections |
0.0396 |
Weighted residual factors for significantly intense reflections |
0.0477 |
Goodness-of-fit parameter for significantly intense reflections |
2.3986 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuK-alpha |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/4021941.html