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Information card for entry 4027174
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Coordinates | 4027174.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Compound 5 |
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Chemical name | 2,11-bis-(CC-C6H4-I-3),-3,6,7,10-tetra-OC6H13-triphenylene |
Formula | C58 H66 I2 O4 |
Calculated formula | C58 H66 I2 O4 |
Title of publication | Discotic Triphenylene Twins Linked through Thiophene Bridges: Controlling Nematic Behavior in an Intriguing Class of Functional Organic Materials |
Authors of publication | Liang Zhang; David L. Hughes; Andrew N. Cammidge |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 4288 - 4297 |
a | 35.7085 ± 0.0018 Å |
b | 9.474 ± 0.0005 Å |
c | 32.0035 ± 0.0016 Å |
α | 90° |
β | 106.182 ± 0.004° |
γ | 90° |
Cell volume | 10397.9 ± 0.9 Å3 |
Cell temperature | 140 ± 1 K |
Ambient diffraction temperature | 140 ± 1 K |
Number of distinct elements | 4 |
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 | 0.1808 |
Residual factor for significantly intense reflections | 0.1477 |
Weighted residual factors for significantly intense reflections | 0.2102 |
Weighted residual factors for all reflections included in the refinement | 0.2219 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.348 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | Mo-Kα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4027174.html
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