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Information card for entry 7203431
Preview
| Coordinates | 7203431.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 3,6-Bis-(2,5-bis-hexyloxy-4-phenylethynyl-phenylethynyl)- fluoren-9-one |
|---|---|
| Formula | C69 H72 O5 |
| Calculated formula | C69 H72 O5 |
| SMILES | C1(=O)c2ccc(cc2c2c1ccc(c2)C#Cc1c(cc(c(c1)OCCCCCC)C#Cc1ccccc1)OCCCCCC)C#Cc1c(cc(c(c1)OCCCCCC)C#Cc1ccccc1)OCCCCCC |
| Title of publication | Shape-persistent V-shaped mesogens—formation of nematic phases with biaxial order |
| Authors of publication | Matthias Lehmann; Shin-Woong Kang; Christiane Köhn; Sönke Haseloh; Ute Kolb; Dieter Schollmeyer; QingBing Wang; Satyendra Kumar |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2006 |
| Journal volume | 16 |
| Journal issue | 44 |
| Pages of publication | 4326 |
| a | 16.0034 ± 0.0009 Å |
| b | 33.0383 ± 0.0007 Å |
| c | 10.6224 ± 0.0005 Å |
| α | 90° |
| β | 97.142 ± 0.002° |
| γ | 90° |
| Cell volume | 5572.8 ± 0.4 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 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 | 0.059 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.1119 |
| Weighted residual factors for all reflections included in the refinement | 0.1207 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7203431.cif |
| 180365 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/34. |
7203431.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7203431.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203431.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7203431.cif |
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Users of the data should acknowledge the original authors of the
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