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Information card for entry 1513758
Preview
Coordinates | 1513758.cif |
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Original paper (by DOI) | HTML |
Formula | C37 H26 N2 |
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Calculated formula | C37 H26 N2 |
SMILES | N(c1c2c(c(c3c1C1c4ccccc4C3c3ccccc13)C#N)C1c3c(C2c2c1cccc2)cccc3)(C)C |
Title of publication | Effects of iptycene scaffolds on the photoluminescence of N,N-dimethylaminobenzonitrile and its analogues. |
Authors of publication | Tan, Wei Shyang; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane |
Journal of publication | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
Year of publication | 2014 |
Journal volume | 13 |
Journal issue | 2 |
Pages of publication | 211 - 223 |
a | 10.6616 ± 0.0002 Å |
b | 20.7812 ± 0.0003 Å |
c | 13.207 ± 0.0003 Å |
α | 90° |
β | 110.46 ± 0.002° |
γ | 90° |
Cell volume | 2741.56 ± 0.1 Å3 |
Cell temperature | 250 ± 2 K |
Ambient diffraction temperature | 250 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0572 |
Residual factor for significantly intense reflections | 0.0461 |
Weighted residual factors for significantly intense reflections | 0.1252 |
Weighted residual factors for all reflections included in the refinement | 0.1369 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
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. |
1513758.cif |
105762 | 2014-03-12 | cif/ Adding structures of 1513755, 1513756, 1513757, 1513758, 1513759, 1513760 via cif-deposit CGI script. |
1513758.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.