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Information card for entry 1569409
Preview
Coordinates | 1569409.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C534 H732 Ca38 N24 Na24 O290 |
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Calculated formula | C534 H534 Ca38 N24 Na24 O290 |
Title of publication | Nanocapsules of unprecedented internal volume seamed by calcium ions. |
Authors of publication | Sikligar, Kanishka; Kelley, Steven P.; Wagle, Durgesh V.; Ishtaweera, Piyuni; Baker, Gary A.; Atwood, Jerry L. |
Journal of publication | Chemical science |
Year of publication | 2023 |
Journal volume | 14 |
Journal issue | 34 |
Pages of publication | 9063 - 9067 |
a | 36.2373 ± 0.0012 Å |
b | 36.2373 ± 0.0012 Å |
c | 36.2373 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 47585 ± 3 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 229 |
Hermann-Mauguin space group symbol | I m -3 m |
Hall space group symbol | -I 4 2 3 |
Residual factor for all reflections | 0.1333 |
Residual factor for significantly intense reflections | 0.1136 |
Weighted residual factors for significantly intense reflections | 0.3689 |
Weighted residual factors for all reflections included in the refinement | 0.4261 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.184 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
286074 (current) | 2023-09-05 | cif/ Updating files of 1569408, 1569409 Original log message: Adding full bibliography for 1569408--1569409.cif. |
1569409.cif |
284759 | 2023-07-04 | cif/ Adding structures of 1569408, 1569409 via cif-deposit CGI script. |
1569409.cif |
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