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Information card for entry 4027335
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Coordinates | 4027335.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Common name | 6-(1-pyrene)-1,3-diphenylfulvene |
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Chemical name | 6-(1-pyrene)-1,3-diphenylfulvene |
Formula | C34 H22 |
Calculated formula | C34 H22 |
SMILES | C1(=CC(=CC1=Cc1ccc2ccc3cccc4ccc1c2c34)c1ccccc1)c1ccccc1 |
Title of publication | Synthesis of 1,3-Diphenyl-6-alkyl/aryl-Substituted Fulvene Chromophores: Observation of π-π Interactions in a 6-Pyrene-Substituted 1,3-Diphenylfulvene |
Authors of publication | Andrew J. Peloquin; Rebecca L. Stone; Sarah E. Avila; Erlyn R. Rudico; Christopher B. Horn; Kim A. Gardner; David W. Ball; Jane E. B. Johnson; Scott T. Iacono; Gary J. Balaich |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 6371 - 6376 |
a | 8.8631 ± 0.0005 Å |
b | 19.8424 ± 0.0014 Å |
c | 25.717 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4522.7 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0499 |
Residual factor for significantly intense reflections | 0.0375 |
Weighted residual factors for significantly intense reflections | 0.0844 |
Weighted residual factors for all reflections included in the refinement | 0.0924 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4027335.html
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structural data.