Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1507664
Preview
| Coordinates | 1507664.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2,2-diphenyl-6-(8-phenylnaphthalen-1-yl)-2H-chromene |
|---|---|
| Chemical name | 2,2-diphenyl-6-(8-phenylnaphthalen-1-yl)-2H-chromene |
| Formula | C75 H53 Cl3 O2 |
| Calculated formula | C75 H53 Cl4 O2 |
| Title of publication | Through-space control of the persistence of photogenerated o-quinonoid intermediates in naphthalenes containing cofacially oriented chromenes and arenes. |
| Authors of publication | Moorthy, Jarugu Narasimha; Mandal, Susovan; Parida, Keshaba Nanda |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 10 |
| Pages of publication | 2438 - 2441 |
| a | 25.018 ± 0.005 Å |
| b | 7.1284 ± 0.0013 Å |
| c | 30.897 ± 0.006 Å |
| α | 90° |
| β | 99.122 ± 0.007° |
| γ | 90° |
| Cell volume | 5440.4 ± 1.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0886 |
| Residual factor for significantly intense reflections | 0.0548 |
| Weighted residual factors for significantly intense reflections | 0.1196 |
| Weighted residual factors for all reflections included in the refinement | 0.1349 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1507664.cif |
| 171452 | 2015-12-11 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 1. |
1507664.cif |
| 113509 | 2014-05-13 | cif/ Updating files of 1507664, 1507665, 1507666 Original log message: Adding full bibliography for 1507664--1507666.cif. |
1507664.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507664.cif |
| 59767 | 2012-06-13 | cif/ Adding structures of 1507664, 1507665, 1507666 via cif-deposit CGI script. |
1507664.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.