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Information card for entry 4106133
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Coordinates | 4106133.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Compound 2 |
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Chemical name | 1,4-bis[3-methoxy-estra-1,3,5-(10)-trien-17α-ethynyl]phenylene |
Formula | C48 H54 O4 |
Calculated formula | C48 H54 O4 |
Title of publication | Anisochronous Dynamics in a Crystalline Array of Steroidal Molecular Rotors: Evidence of Correlated Motion within 1D Helical Domains |
Authors of publication | Braulio Rodríguez-Molina; Norberto Farfán; Margarita Romero; J. Manuel Méndez-Stivalet; Rosa Santillan; Miguel A. Garcia-Garibay |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 7280 - 7283 |
a | 14.7945 ± 0.0006 Å |
b | 14.7945 ± 0.0006 Å |
c | 14.7246 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 2791.1 ± 0.18 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 3 |
Space group number | 145 |
Hermann-Mauguin space group symbol | P 32 |
Hall space group symbol | P 32 |
Residual factor for all reflections | 0.0875 |
Residual factor for significantly intense reflections | 0.0512 |
Weighted residual factors for significantly intense reflections | 0.0818 |
Weighted residual factors for all reflections included in the refinement | 0.0925 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4106133.html
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