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Information card for entry 7706818
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Coordinates | 7706818.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H31 Fe N3 O2 |
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Calculated formula | C26 H31 Fe N3 O2 |
Title of publication | A ferrocene-based pseudopeptide chiroptical switch. |
Authors of publication | Opačak, Saša; Babić, Darko; Perić, Berislav; Marinić, Željko; Smrečki, Vilko; Pem, Barbara; Vinković Vrček, Ivana; Kirin, Srećko I |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 50 |
Journal issue | 13 |
Pages of publication | 4504 - 4511 |
a | 8.9319 ± 0.0002 Å |
b | 11.0143 ± 0.0003 Å |
c | 24.0525 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2366.25 ± 0.11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0635 |
Residual factor for significantly intense reflections | 0.0466 |
Weighted residual factors for significantly intense reflections | 0.1008 |
Weighted residual factors for all reflections included in the refinement | 0.1124 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation wavelength | 1.54184 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/7706818.html
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Users of the data should acknowledge the original authors of the
structural data.