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Information card for entry 4021551
Preview
Coordinates | 4021551.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C65 H69 F24 N5 O7 P4 |
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Calculated formula | C65 H69 F24 N5 O7 P4 |
Title of publication | Is [N^+^-H···O] Hydrogen Bonding the Most Important Noncovalent Interaction in Macrocycle-Dibenzylammonium Ion Complexes? |
Authors of publication | Pin-Nan Cheng; Po-Yi Huang; Wan-Sheung Li; Shau-Hua Ueng; Wei-Chung Hung; Yi-Hung Liu; Chien-Chen Lai; Yu Wang; Shie-Ming Peng; Ito Chao; Sheng-Hsien Chiu |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2006 |
Journal volume | 71 |
Pages of publication | 2373 - 2383 |
a | 22.0478 ± 0.0004 Å |
b | 23.4873 ± 0.0007 Å |
c | 13.2064 ± 0.0006 Å |
α | 90° |
β | 94.884 ± 0.001° |
γ | 90° |
Cell volume | 6814 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1793 |
Residual factor for significantly intense reflections | 0.0599 |
Weighted residual factors for significantly intense reflections | 0.136 |
Weighted residual factors for all reflections included in the refinement | 0.1672 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.848 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4021551.html
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