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Information card for entry 4123260
Preview
| Coordinates | 4123260.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H52 N4 Si4 |
|---|---|
| Calculated formula | C38 H52 N4 Si4 |
| Title of publication | Optical properties of disilane-bridged donor-acceptor architectures: strong effect of substituents on fluorescence and nonlinear optical properties. |
| Authors of publication | Shimada, Masaki; Yamanoi, Yoshinori; Matsushita, Tomonori; Kondo, Takashi; Nishibori, Eiji; Hatakeyama, Akari; Sugimoto, Kunihisa; Nishihara, Hiroshi |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 3 |
| Pages of publication | 1024 - 1027 |
| a | 7.2051 ± 0.0003 Å |
| b | 23.8974 ± 0.0013 Å |
| c | 11.7957 ± 0.0007 Å |
| α | 90° |
| β | 92.966 ± 0.007° |
| γ | 90° |
| Cell volume | 2028.3 ± 0.18 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 a 1 |
| Hall space group symbol | P -2ya |
| Residual factor for all reflections | 0.1677 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0708 |
| Weighted residual factors for all reflections included in the refinement | 0.185 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.549 |
| Diffraction radiation wavelength | 0.4131 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4123260.cif |
| 179034 | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/32. |
4123260.cif |
| 130654 | 2015-02-04 | cif/ Updating files of 4123259, 4123260 Original log message: Adding full bibliography for 4123259--4123260.cif. |
4123260.cif |
| 129839 | 2015-01-17 | cif/ Adding structures of 4123260 via cif-deposit CGI script. |
4123260.cif |
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Users of the data should acknowledge the original authors of the
structural data.