Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1515939
Preview
| Coordinates | 1515939.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C35 H36 N4 O3 |
|---|---|
| Calculated formula | C35 H36 N4 O3 |
| SMILES | CCN(c1ccc2c(c1)Oc1c(C32N(NC(=O)c2ccccc2)C(=O)c2c3cccc2)ccc(c1)N(CC)CC)CC |
| Title of publication | A highly sensitive acidic pH fluorescent probe and its application to HepG2 cells. |
| Authors of publication | Zhang, Wenshen; Tang, Bo; Liu, Xia; Liu, Yuanyuan; Xu, Kehua; Ma, Jianping; Tong, Lili; Yang, Guiwen |
| Journal of publication | The Analyst |
| Year of publication | 2009 |
| Journal volume | 134 |
| Journal issue | 2 |
| Pages of publication | 367 - 371 |
| a | 10.054 ± 0.002 Å |
| b | 12.46 ± 0.003 Å |
| c | 14.07 ± 0.004 Å |
| α | 67.827 ± 0.003° |
| β | 84.198 ± 0.004° |
| γ | 67.677 ± 0.004° |
| Cell volume | 1508.1 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1174 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for significantly intense reflections | 0.1648 |
| Weighted residual factors for all reflections included in the refinement | 0.1971 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1515939.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. |
1515939.cif |
| 112481 | 2014-05-01 | cif/ Adding structures of 1515939 via cif-deposit CGI script. |
1515939.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.