Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1503154
Preview
| Coordinates | 1503154.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C14 H11 Cl N2 O |
|---|---|
| Calculated formula | C14 H11 Cl N2 O |
| SMILES | Clc1cc2C(O)(C(=Nc2cc1)N)c1ccccc1 |
| Title of publication | A concise silylamine approach to 2-amino-3-hydroxy-indoles with potent in vivo antimalaria activity. |
| Authors of publication | Urgaonkar, Sameer; Cortese, Joseph F.; Barker, Robert H.; Cromwell, Mandy; Serrano, Adelfa E.; Wirth, Dyann F.; Clardy, Jon; Mazitschek, Ralph |
| Journal of publication | Organic letters |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 18 |
| Pages of publication | 3998 - 4001 |
| a | 5.7679 ± 0.0007 Å |
| b | 8.2804 ± 0.001 Å |
| c | 12.9064 ± 0.0016 Å |
| α | 74.09 ± 0.002° |
| β | 88.512 ± 0.002° |
| γ | 85.529 ± 0.002° |
| Cell volume | 590.99 ± 0.13 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 | 0.0358 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0893 |
| Weighted residual factors for all reflections included in the refinement | 0.0914 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 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. |
1503154.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. |
1503154.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503154.cif |
| 37045 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503154 via cif-deposit CGI script. |
1503154.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.