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Information card for entry 1507389
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1507389.cif |
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Original paper (by DOI) | HTML |
Common name | (C60)2(6,13-diphenylpentacene).4.5CS2 |
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Formula | C158.5 H22 S9 |
Calculated formula | C158.5 H22 S9 |
Title of publication | Fullerene-acene chemistry: single-crystal X-ray structures for a [60]fullerene-pentacene monoadduct and a cis-bis[60]fullerene adduct of 6,13-diphenylpentacene. |
Authors of publication | Miller, Glen P.; Briggs, Jonathan; Mack, James; Lord, Pamela A.; Olmstead, Marilyn M.; Balch, Alan L. |
Journal of publication | Organic letters |
Year of publication | 2003 |
Journal volume | 5 |
Journal issue | 22 |
Pages of publication | 4199 - 4202 |
a | 33.0398 ± 0.0013 Å |
b | 14.669 ± 0.0006 Å |
c | 19.9868 ± 0.0008 Å |
α | 90° |
β | 103.814 ± 0.001° |
γ | 90° |
Cell volume | 9406.6 ± 0.7 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1441 |
Residual factor for significantly intense reflections | 0.0791 |
Weighted residual factors for significantly intense reflections | 0.224 |
Weighted residual factors for all reflections included in the refinement | 0.2558 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1507389.html
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