Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2018353
Preview
| Coordinates | 2018353.cif |
|---|---|
| Structure factors | 2018353.hkl |
| Original IUCr paper | HTML |
| Common name | naphtholactam |
|---|---|
| Chemical name | Benz[<i>cd</i>]indol-2(1<i>H</i>)-one |
| Formula | C11 H7 N O |
| Calculated formula | C11 H7 N O |
| Title of publication | Benz[<i>cd</i>]indol-2(1<i>H</i>)-one at 298 and 100K |
| Authors of publication | Khan, Saeed I.; Knobler, Carolyn B.; Maverick, Emily F. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | o1 - o6 |
| a | 9.0551 ± 0.0019 Å |
| b | 6.7287 ± 0.0014 Å |
| c | 13.12 ± 0.003 Å |
| α | 90° |
| β | 92.6 ± 0.002° |
| γ | 90° |
| Cell volume | 798.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0635 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.1578 |
| Weighted residual factors for all reflections included in the refinement | 0.164 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180852 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/83. |
2018353.cif 2018353.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018353.cif 2018353.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018353.cif 2018353.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018353.cif 2018353.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2018353.cif 2018353.hkl |
| 32338 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2018351, 2018352, 2018353 via cif-deposit CGI script. |
2018353.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.