Crystallography Open Database

Information card for entry 1572619

Preview

Coordinates	1572619.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	HOF-PTBA
Formula	C48 H28 O8
Calculated formula	C48 H28 O8
SMILES	C(=O)(c1ccc(cc1)c1cc2c3c(c1)cc(c1ccc(C(=O)O)cc1)cc3c1cc(c3ccc(C(=O)O)cc3)cc3c1c2cc(c1ccc(C(=O)O)cc1)c3)O
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
Journal volume	15
Journal issue	41
Pages of publication	16987 - 16996
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

Version history

Revision	Date	Message	Files
296364 (current)	2024-12-06	cif/ Updating files of 1572619 Original log message: Adding full bibliography for 1572619.cif.	1572619.cif
294823	2024-09-21	cif/ Adding structures of 1572619 via cif-deposit CGI script.	1572619.cif