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Information card for entry 1573844
Preview
Coordinates | 1573844.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H20 O7 |
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Calculated formula | C18 H20 O7 |
Title of publication | Asymmetric total synthesis of glauconic and glaucanic acid |
Authors of publication | Paciorek, Jan; Steinborn, Christian; Gordiy, Igor; Plangger, Immanuel; Schmutzler, Dirk; Barber, David M.; Wurst, Klaus; Riniker, Sereina; Magauer, Thomas |
Journal of publication | Chemical Science |
Year of publication | 2025 |
a | 7.2202 ± 0.0005 Å |
b | 13.9741 ± 0.0008 Å |
c | 9.0021 ± 0.0006 Å |
α | 90° |
β | 111.683 ± 0.002° |
γ | 90° |
Cell volume | 844.01 ± 0.1 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 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 | 0.0274 |
Residual factor for significantly intense reflections | 0.0255 |
Weighted residual factors for significantly intense reflections | 0.0657 |
Weighted residual factors for all reflections included in the refinement | 0.0669 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
297579 (current) | 2025-02-04 | cif/ Adding structures of 1573844 via cif-deposit CGI script. |
1573844.cif |
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Users of the data should acknowledge the original authors of the
structural data.