Crystallography Open Database

Information card for entry 4133672

Preview

Coordinates	4133672.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	COF-300-H2O
Formula	C41 H36 N4 O4
Calculated formula	C41 H36 N4 O4
Title of publication	Atomic-Level Characterization of Dynamics of a 3D Covalent Organic Framework by Cryo-Electron Diffraction Tomography.
Authors of publication	Sun, Tu; Wei, Lei; Chen, Yichong; Ma, Yanhang; Zhang, Yue-Biao
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	28
Pages of publication	10962 - 10966
a	19.9 Å
b	19.9 Å
c	9.3 Å
α	90°
β	90°
γ	90°
Cell volume	3682.89 Å³
Cell temperature	77 K
Ambient diffraction temperature	77 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.3074
Residual factor for significantly intense reflections	0.2911
Weighted residual factors for significantly intense reflections	0.6091
Weighted residual factors for all reflections included in the refinement	0.6187
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.0251 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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