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Information card for entry 8105427
Preview
Coordinates | 8105427.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H48 O5 |
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Calculated formula | C31 H48 O5 |
Title of publication | The crystal structure of (6aR,6bS,8aS,8bR,9S,11aS,12aS,12bS)-10-(4-acetoxy-3-methylbutyl)-6a,8a,9-trimethyl-3,4,5,6,6a,6b,7,8,8a,8b,9,10,11a,12,12a,12b-hexadecahydro-1H-naphtho[2′,1′:4,5]indeno[2,1-b]furan-4-yl acetate, C31H48O5 |
Authors of publication | Mou, Xiao-Dong; Wang, Hui-Yun; Sun, Ke-Wei; Luan, Ming-Zhu; Meng, Qing-Guo |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2020 |
Journal volume | 235 |
Journal issue | 5 |
Pages of publication | 1223 - 1225 |
a | 11.0421 ± 0.0003 Å |
b | 6.4971 ± 0.00016 Å |
c | 20.4687 ± 0.0004 Å |
α | 90° |
β | 97.922 ± 0.002° |
γ | 90° |
Cell volume | 1454.44 ± 0.06 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0471 |
Residual factor for significantly intense reflections | 0.0382 |
Weighted residual factors for significantly intense reflections | 0.094 |
Weighted residual factors for all reflections included in the refinement | 0.1024 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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