Crystallography Open Database

Information card for entry 1570857

Preview

Coordinates	1570857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H14 O3
Calculated formula	C9 H14 O3
SMILES	O1C[C@@H]2CCCC[C@@H]2COC1=O
Title of publication	cis-Fused cyclohexane promoted the chemical recycling of polycarbonate to monomer
Authors of publication	Shan, Si-Yi; Zhang, Wei; Cao, Qing; Ye, Yun-Cong; Cai, Zhongzheng; Zhu, Jian-Bo
Journal of publication	Polymer Chemistry
Year of publication	2024
Journal volume	15
Journal issue	11
Pages of publication	1070 - 1076
a	5.3341 ± 0.0011 Å
b	7.7048 ± 0.0016 Å
c	20.413 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	838.9 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0312
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0774
Weighted residual factors for all reflections included in the refinement	0.0775
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291071 (current)	2024-04-05	cif/ Updating files of 1570857 Original log message: Adding full bibliography for 1570857.cif.	1570857.cif
289253	2024-02-01	cif/ Adding structures of 1570857 via cif-deposit CGI script.	1570857.cif