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Information card for entry 7207222
Preview
Coordinates | 7207222.cif |
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Original paper (by DOI) | HTML |
Formula | C29 H25 N O4 |
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Calculated formula | C29 H25 N O4 |
SMILES | c1c(ccc2ccccc12)C(=O)[O-].c1c(ccc2ccccc12)C(=O)O.c1(ccccc1)C[NH3+] |
Title of publication | Polymorphic supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid and benzylamine |
Authors of publication | Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Harada, Takunori; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane |
Journal of publication | CrystEngComm |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 4 |
Pages of publication | 1468 |
a | 12.633 ± 0.002 Å |
b | 6.0545 ± 0.0011 Å |
c | 31.019 ± 0.006 Å |
α | 90° |
β | 102.008 ± 0.003° |
γ | 90° |
Cell volume | 2320.6 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0467 |
Residual factor for significantly intense reflections | 0.042 |
Weighted residual factors for significantly intense reflections | 0.1104 |
Weighted residual factors for all reflections included in the refinement | 0.1147 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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