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Information card for entry 1508655
Preview
Coordinates | 1508655.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C14 H17 N3 O |
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Calculated formula | C14 H17 N3 O |
SMILES | O=C1N(C(=N/C1=C\c1cccc(N(C)C)c1)C)C |
Title of publication | Site-selective hydrogen-bonding-induced fluorescence quenching of highly solvatofluorochromic GFP-like chromophores. |
Authors of publication | Huang, Guan-Jhih; Ho, Jinn-Hsuan; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane |
Journal of publication | Organic letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 19 |
Pages of publication | 5034 - 5037 |
a | 7.3253 ± 0.0006 Å |
b | 24.5749 ± 0.0012 Å |
c | 8.0859 ± 0.0007 Å |
α | 90° |
β | 116.611 ± 0.011° |
γ | 90° |
Cell volume | 1301.4 ± 0.2 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 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 | 0.093 |
Residual factor for significantly intense reflections | 0.0557 |
Weighted residual factors for significantly intense reflections | 0.1431 |
Weighted residual factors for all reflections included in the refinement | 0.1738 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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. |
1508655.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. |
1508655.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1508655.cif |
72141 | 2013-01-21 | cif/ Adding structures of 1508655, 1508656, 1508657 via cif-deposit CGI script. |
1508655.cif |
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Users of the data should acknowledge the original authors of the
structural data.