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Information card for entry 4110257
Preview
| Coordinates | 4110257.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H60 Cl18 N8 O6 |
|---|---|
| Calculated formula | C68 H56 Cl6 N8 O6 |
| SMILES | C1([O-])=C(c2ccc(cc2)N(C)C)C(=O)C1=C1C=CC(C=C1)=[N+](C)C.C(Cl)(Cl)Cl.C1(=O)c2cccc(C(=O)NCc3c4ccccc4c(c4ccccc34)CNC(=O)c3cccc(C(=O)NCc4c5ccccc5c(c5ccccc45)CN1)n3)n2.C(Cl)(Cl)Cl |
| Title of publication | Self-Assembly of Fluorescent Inclusion Complexes in Competitive Media Including the Interior of Living Cells |
| Authors of publication | Jeremiah J. Gassensmith; Easwaran Arunkumar; Lorna Barr; Jeffrey M. Baumes; Kristy M. DiVittorio; James R. Johnson; Bruce C. Noll; Bradley D. Smith |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 15054 - 15059 |
| a | 10.5116 ± 0.0003 Å |
| b | 13.4898 ± 0.0004 Å |
| c | 13.9436 ± 0.0004 Å |
| α | 104.169 ± 0.002° |
| β | 90.708 ± 0.002° |
| γ | 105.057 ± 0.002° |
| Cell volume | 1845.13 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0725 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.1618 |
| Weighted residual factors for all reflections included in the refinement | 0.1712 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4110257.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110257.cif |
| 59221 | 2012-06-05 | cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters. |
4110257.cif |
| 59116 | 2012-06-03 | smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif |
4110257.cif |
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