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Information card for entry 2023202
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Coordinates | 2023202.cif |
---|---|
Original IUCr paper | HTML |
Common name | Staudtienic acid |
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Chemical name | (1<i>S</i>,4a<i>S</i>,10a<i>R</i>)-1,4a-Dimethyl-7-(prop-2-en-1-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid |
Formula | C20 H26 O2 |
Calculated formula | C20 H26 O2 |
Title of publication | Crystal structure of Staudtienic acid, a diterpenoid from Staudtia kamerunensis Warb. (Myristicaceae) |
Authors of publication | Tonga Lembe, Jordan; Mphahlele, Precious Mokgadi; Kamdem Kengne, Michael Hermann; Jiyane, Pangaman; Djuidje Fotsing, Marthe Carine; Ardene, Charmaine; Mmutlane, Edwin Mpho; Ndinteh, Derek Tantoh |
Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
Year of publication | 2024 |
Journal volume | 80 |
Journal issue | 8 |
a | 18.396 ± 0.003 Å |
b | 20.248 ± 0.004 Å |
c | 8.9338 ± 0.0016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3327.7 ± 1 Å3 |
Cell temperature | 99.98 K |
Ambient diffraction temperature | 99.98 K |
Number of distinct elements | 3 |
Space group number | 18 |
Hermann-Mauguin space group symbol | P 21 21 2 |
Hall space group symbol | P 2 2ab |
Residual factor for all reflections | 0.1048 |
Residual factor for significantly intense reflections | 0.0552 |
Weighted residual factors for significantly intense reflections | 0.1137 |
Weighted residual factors for all reflections included in the refinement | 0.1338 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
293487 (current) | 2024-07-20 | cif/ Adding structures of 2023202 via cif-deposit CGI script. |
2023202.cif |
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Users of the data should acknowledge the original authors of the
structural data.