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Information card for entry 1506942
Preview
Coordinates | 1506942.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H28 |
---|---|
Calculated formula | C33 H28 |
SMILES | c1(cc2cccc3c4ccccc4c(c23)c1c1ccccc1)C(c1ccccc1)C(C)(C)C |
Title of publication | Synthesis and structure of a helical diindenophenanthrene with four congested phenyl substituents as a molecular spiral staircase. |
Authors of publication | Dai, Weixiang; Petersen, Jeffrey L.; Wang, Kung K. |
Journal of publication | Organic letters |
Year of publication | 2004 |
Journal volume | 6 |
Journal issue | 23 |
Pages of publication | 4355 - 4357 |
a | 8.8482 ± 0.0005 Å |
b | 17.6806 ± 0.0011 Å |
c | 29.5631 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4624.9 ± 0.5 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 2 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1468 |
Residual factor for significantly intense reflections | 0.0594 |
Weighted residual factors for significantly intense reflections | 0.1224 |
Weighted residual factors for all reflections included in the refinement | 0.1506 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1506942.html
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