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Information card for entry 7205064
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7205064.cif |
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Original paper (by DOI) | HTML |
Common name | (3,4:10,11:19,20:26,27-tetrabenzo-5,9,21,25-tetraoxa- tricyclo(27.3.1.113,17) tetratriaconta- 1(32),3,10,13,15,17(34),19,26,29(33),30-decaene-33,34-diol) di- ethylenediamine salt |
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Chemical name | (3,4:10,11:19,20:26,27-tetrabenzo-5,9,21,25-tetraoxa-tricyclo[27.3.1.113,17] tetratriaconta-1(32),3,10,13,15,17(34),19,26,29(33),30-decaene-33,34-diol) di-ethylenediamine salt |
Formula | C50 H60 N4 O6 |
Calculated formula | C50 H60 N4 O6 |
Title of publication | Horning-crown diamine complexes and salts: proton transfer mediated by solid-state intermolecular hydrogen bonding |
Authors of publication | Luciawati, Fera; Higham, Luke T.; Strauss, Christopher R.; Scott, Janet L. |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 1 |
Pages of publication | 167 |
a | 11.61 ± 0.002 Å |
b | 11.669 ± 0.002 Å |
c | 18.732 ± 0.004 Å |
α | 78.05 ± 0.03° |
β | 82.69 ± 0.03° |
γ | 60.57 ± 0.03° |
Cell volume | 2161.4 ± 1 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 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 | 0.098 |
Residual factor for significantly intense reflections | 0.0881 |
Weighted residual factors for significantly intense reflections | 0.1657 |
Weighted residual factors for all reflections included in the refinement | 0.1704 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.252 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7205064.html
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