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Information card for entry 1555944
Preview
Coordinates | 1555944.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H26 O5 |
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Calculated formula | C20 H26 O5 |
SMILES | C1CC[C@]([C@@H]2CCc3c([C@@]12C)cc(cc3C(=O)OC)O)(C)C(=O)OC |
Title of publication | Short Route to Cassane-Type Diterpenoids: Synthesis of the Supposed Structure of Benthaminin 1. |
Authors of publication | Mahdjour, Soumicha; Harche-Kaid, Meriem; Haidour, Alí; Chahboun, Rachid; Alvarez-Manzaneda, Enrique |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 22 |
Pages of publication | 5964 - 5967 |
a | 16.4591 ± 0.0019 Å |
b | 7.2887 ± 0.0018 Å |
c | 14.371 ± 0.002 Å |
α | 90° |
β | 90 ± 0.003° |
γ | 90° |
Cell volume | 1724 ± 0.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
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 all reflections | 0.0299 |
Residual factor for significantly intense reflections | 0.0274 |
Weighted residual factors for significantly intense reflections | 0.068 |
Weighted residual factors for all reflections included in the refinement | 0.0698 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation wavelength | 1.5405 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1555944.html
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Users of the data should acknowledge the original authors of the
structural data.