Crystallography Open Database

Information card for entry 1572619

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Coordinates	1572619.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	HOF-PTBA
Formula	C48 H28 O8
Calculated formula	C48 H28 O8
Title of publication	Facile and scale-up syntheses of high-performance enzyme@meso-HOF biocatalysts
Authors of publication	Di, Zhengyi; Qi, Yu; Yu, Xin-Xin; Li, Hai-Ruo; Zuo, Meng-Xuan; Ren, Tian-Tian; Li, Cheng-Peng; Zhao, Yanli
Journal of publication	Chemical Science
Year of publication	2024
a	22.864 ± 0.001 Å
b	35.6826 ± 0.0012 Å
c	3.7147 ± 0.0001 Å
α	90°
β	91.622 ± 0.003°
γ	90°
Cell volume	3029.41 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0754
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for significantly intense reflections	0.1993
Weighted residual factors for all reflections included in the refinement	0.2112
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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