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Information card for entry 1571944
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Coordinates | 1571944.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H30 O4 |
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Calculated formula | C28.997 H29.995 O4 |
Title of publication | Total synthesis, biological evaluation and biosynthetic re-evaluation of <i>Illicium</i>-derived neolignans. |
Authors of publication | Arnold, Robert E.; Saska, Jan; Mesquita-Ribeiro, Raquel; Dajas-Bailador, Federico; Taylor, Laurence; Lewis, William; Argent, Stephen; Shao, Huiling; Houk, Kendall N.; Denton, Ross M. |
Journal of publication | Chemical science |
Year of publication | 2024 |
Journal volume | 15 |
Journal issue | 30 |
Pages of publication | 11783 - 11793 |
a | 19.1851 ± 0.0006 Å |
b | 7.8229 ± 0.0002 Å |
c | 31.2872 ± 0.0011 Å |
α | 90° |
β | 90.51 ± 0.003° |
γ | 90° |
Cell volume | 4695.5 ± 0.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.0497 |
Residual factor for significantly intense reflections | 0.0456 |
Weighted residual factors for significantly intense reflections | 0.1214 |
Weighted residual factors for all reflections included in the refinement | 0.1261 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1571944.html
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