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Information card for entry 7210967
Preview
Coordinates | 7210967.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H15 Br N2 O |
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Calculated formula | C14 H15 Br N2 O |
SMILES | c1cccc2[nH+]c3ccccc3c(c12)N.[Br-].OC |
Title of publication | Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides |
Authors of publication | Trzybiński, Damian; Sikorski, Artur |
Journal of publication | CrystEngComm |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 34 |
Pages of publication | 6808 |
a | 7.1357 ± 0.0009 Å |
b | 9.8039 ± 0.0014 Å |
c | 10.6502 ± 0.0017 Å |
α | 73.234 ± 0.013° |
β | 79.126 ± 0.013° |
γ | 69.98 ± 0.012° |
Cell volume | 666.93 ± 0.18 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.08 |
Residual factor for significantly intense reflections | 0.0497 |
Weighted residual factors for significantly intense reflections | 0.0957 |
Weighted residual factors for all reflections included in the refinement | 0.1086 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180440 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/09. |
7210967.cif |
90164 | 2013-11-17 | cif/ Adding structures of 7210963, 7210964, 7210965, 7210966, 7210967, 7210968, 7210969, 7210970 via cif-deposit CGI script. |
7210967.cif |
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Users of the data should acknowledge the original authors of the
structural data.