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Information card for entry 1573080
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Coordinates | 1573080.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 1,4-Bis(neopentyloxy)pillar[5]arene |
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Formula | C95 H140 N2 O10 |
Calculated formula | C95 H140 N2 O10 |
Title of publication | Structural insights into 1,4-bis(neopentyloxy)pillar[5]arene and the pyridine host–guest system |
Authors of publication | Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F. |
Journal of publication | IUCrData |
Year of publication | 2024 |
Journal volume | 9 |
Journal issue | 11 |
a | 47.848 ± 0.005 Å |
b | 14.2452 ± 0.0014 Å |
c | 27.679 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 18866 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 43 |
Hermann-Mauguin space group symbol | F d d 2 |
Hall space group symbol | F 2 -2d |
Residual factor for all reflections | 0.1504 |
Residual factor for significantly intense reflections | 0.0678 |
Weighted residual factors for significantly intense reflections | 0.1548 |
Weighted residual factors for all reflections included in the refinement | 0.1921 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
295860 (current) | 2024-11-09 | cif/ Adding structures of 1573080 via cif-deposit CGI script. |
1573080.cif |
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Users of the data should acknowledge the original authors of the
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