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Information card for entry 4112217
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Coordinates | 4112217.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H23 N O2 |
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Calculated formula | C17 H23 N O2 |
SMILES | [O-]C(=O)CCC(C)C.[NH3+]Cc1cccc2c1cccc2 |
Title of publication | Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension |
Authors of publication | Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2004 |
Journal volume | 126 |
Pages of publication | 1764 - 1771 |
a | 11.0534 ± 0.0001 Å |
b | 4.8418 ± 0.0005 Å |
c | 15.1842 ± 0.0001 Å |
α | 90° |
β | 107.566 ± 0.004° |
γ | 90° |
Cell volume | 774.74 ± 0.08 Å3 |
Cell temperature | 213.2 K |
Number of distinct elements | 4 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 a 1 |
Hall space group symbol | P -2ya |
Residual factor for significantly intense reflections | 0.0545 |
Weighted residual factors for all reflections included in the refinement | 0.1289 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4112217.cif |
120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4112217.cif |
64585 | 2012-08-20 | cif/ Adding structures of 4112217 via cif-deposit CGI script. |
4112217.cif |
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Users of the data should acknowledge the original authors of the
structural data.