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Information card for entry 4513964
Preview
Coordinates | 4513964.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H32 N12 O18 |
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Calculated formula | C40 H32 N12 O18 |
SMILES | C(CCN1C(=O)c2c3c(C1=O)ccc1C(=O)N(CCC[n+]4ccn(C)c4)C(=O)c(c31)cc2)[n+]1ccn(C)c1.N(=O)(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1[O-].N(=O)(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1[O-] |
Title of publication | Anion-Exchange Induced Strong π-π Interactions in Single Crystalline Naphthalene Diimide for Nitroexplosive Sensing: An Electronic Prototype for Visual on-Site Detection. |
Authors of publication | Kalita, Anamika; Hussain, Sameer; Malik, Akhtar Hussain; Barman, Ujjwol; Goswami, Namami; Iyer, Parameswar Krishnan |
Journal of publication | ACS applied materials & interfaces |
Year of publication | 2016 |
Journal volume | 8 |
Journal issue | 38 |
Pages of publication | 25326 - 25336 |
a | 10.2706 ± 0.0006 Å |
b | 10.4147 ± 0.0006 Å |
c | 11.7961 ± 0.0012 Å |
α | 101.167 ± 0.005° |
β | 98.645 ± 0.005° |
γ | 119.207 ± 0.003° |
Cell volume | 1035.4 ± 0.15 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.1776 |
Residual factor for significantly intense reflections | 0.0745 |
Weighted residual factors for significantly intense reflections | 0.198 |
Weighted residual factors for all reflections included in the refinement | 0.2414 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4513964.html
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Users of the data should acknowledge the original authors of the
structural data.