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Information card for entry 4071955
Preview
| Coordinates | 4071955.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C50 H43 N3 O4 |
|---|---|
| Calculated formula | C50 H43 N3 O4 |
| SMILES | O(c1ccc(N(c2ccc(OC)cc2)c2ccc3ccccc3c2c2c3ccccc3ccc2N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1)C.N#CC |
| Title of publication | Synthesis of Optically ActiveN,N,N′,N′-Tetraphenyl-1,1′-binaphthyl-2,2′-diamine Derivatives as Analogues of BINAP |
| Authors of publication | Matsuzawa, Hiroshi; Tanabe, Yoshiaki; Miyake, Yoshihiro; Nishibayashi, Yoshiaki |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 15 |
| Pages of publication | 4021 |
| a | 11.699 ± 0.0009 Å |
| b | 10.6226 ± 0.0007 Å |
| c | 16.698 ± 0.0011 Å |
| α | 90° |
| β | 106.573 ± 0.002° |
| γ | 90° |
| Cell volume | 1988.9 ± 0.2 Å3 |
| Cell temperature | 173.1 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for all reflections included in the refinement | 0.1135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4071955.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4071955.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071955.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071955.cif |
| 44145 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071954, 4071955, 4071956 via cif-deposit CGI script. |
4071955.cif |
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Users of the data should acknowledge the original authors of the
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