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Information card for entry 7228107
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Coordinates | 7228107.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H22 N2 O2 |
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Calculated formula | C22 H22 N2 O2 |
SMILES | C1=C(C([O-])=CC(=O)C1=[NH+]Cc1ccc(cc1)C)NCc1ccc(cc1)C |
Title of publication | Changes in molecular film metallicity with minor modifications of the constitutive quinonoid zwitterions |
Authors of publication | Routaboul, Lucie; Tanabe, Iori; Santana, Juan Colon; Yuan, Minghui; Ghisolfi, Alessio; Garcia, William Serrano; Dowben, Peter A.; Doudin, Bernard; Braunstein, Pierre |
Journal of publication | RSC Adv. |
Year of publication | 2017 |
Journal volume | 7 |
Journal issue | 35 |
Pages of publication | 21906 |
a | 4.7968 ± 0.0008 Å |
b | 12.304 ± 0.002 Å |
c | 16.302 ± 0.002 Å |
α | 101.238 ± 0.008° |
β | 95.761 ± 0.008° |
γ | 95.785 ± 0.013° |
Cell volume | 931.8 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.1349 |
Residual factor for significantly intense reflections | 0.1053 |
Weighted residual factors for significantly intense reflections | 0.2521 |
Weighted residual factors for all reflections included in the refinement | 0.2991 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.202 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7228107.html
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Users of the data should acknowledge the original authors of the
structural data.