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Information card for entry 1506120
Preview
| Coordinates | 1506120.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C35 H22 |
|---|---|
| Calculated formula | C35 H22 |
| SMILES | C1(c2ccccc2)(c2ccccc2c2ccccc12)c1ccc2ccc3c4c2c1ccc4ccc3 |
| Title of publication | Facile synthesis of complicated 9,9-diarylfluorenes based on BF3.Et2O-mediated Friedel-Crafts reaction. |
| Authors of publication | Xie, Ling-Hai; Hou, Xiao-Ya; Hua, Yu-Ran; Tang, Chao; Liu, Feng; Fan, Qu-Li; Huang, Wei |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 17 |
| Pages of publication | 3701 - 3704 |
| a | 14.922 ± 0.004 Å |
| b | 8.735 ± 0.002 Å |
| c | 17.45 ± 0.005 Å |
| α | 90° |
| β | 94.143 ± 0.004° |
| γ | 90° |
| Cell volume | 2268.6 ± 1 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0594 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.1017 |
| Weighted residual factors for all reflections included in the refinement | 0.1152 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1506120.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1506120.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1506120.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506120.cif |
| 48011 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506120 via cif-deposit CGI script. |
1506120.cif |
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Users of the data should acknowledge the original authors of the
structural data.