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Information card for entry 1507666
Preview
| Coordinates | 1507666.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Common name | 6-(8-(4-cyanophenyl)naphthalen-1-yl)-2,2-diphenyl-2H-chromene |
|---|---|
| Chemical name | 6-(8-(4-cyanophenyl)naphthalen-1-yl)-2,2-diphenyl-2H-chromene |
| Formula | C38 H25 N O |
| Calculated formula | C38 H25 N O |
| SMILES | O1c2c(cc(c3cccc4c3c(c3ccc(cc3)C#N)ccc4)cc2)C=CC1(c1ccccc1)c1ccccc1 |
| 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 | 9.695 ± 0.002 Å |
| b | 11.461 ± 0.005 Å |
| c | 12.535 ± 0.005 Å |
| α | 79.413 ± 0.005° |
| β | 88.04 ± 0.005° |
| γ | 76.789 ± 0.005° |
| Cell volume | 1332.8 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0922 |
| Residual factor for significantly intense reflections | 0.0615 |
| Weighted residual factors for significantly intense reflections | 0.144 |
| Weighted residual factors for all reflections included in the refinement | 0.1601 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1507666.cif |
| 201954 | 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. |
1507666.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. |
1507666.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. |
1507666.cif |
| 113509 | 2014-05-13 | cif/ Updating files of 1507664, 1507665, 1507666 Original log message: Adding full bibliography for 1507664--1507666.cif. |
1507666.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507666.cif |
| 59767 | 2012-06-13 | cif/ Adding structures of 1507664, 1507665, 1507666 via cif-deposit CGI script. |
1507666.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.