Crystallography Open Database

Information card for entry 7247129

Preview

Coordinates	7247129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 O2
Calculated formula	C16 H16 O2
Title of publication	Harmonization of an incompatible aqueous aldol condensation/oxa-Michael addition/reduction cascade process over a core–shell-structured thermoresponsive catalyst
Authors of publication	Su, Yu; Wang, Chengyi; Chen, Qipeng; Zhu, Yuanli; Deng, Shaomin; Yang, Shoujin; Jin, Ronghua; Liu, Guohua
Journal of publication	Green Chemistry
Year of publication	2023
Journal volume	25
Journal issue	17
Pages of publication	6859 - 6868
a	11.9068 ± 0.0017 Å
b	4.8812 ± 0.0007 Å
c	22.718 ± 0.004 Å
α	90°
β	94.231 ± 0.004°
γ	90°
Cell volume	1316.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1491
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for significantly intense reflections	0.1558
Weighted residual factors for all reflections included in the refinement	0.2035
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
286138 (current)	2023-09-05	cif/ Updating files of 7247129 Original log message: Adding full bibliography for 7247129.cif.	7247129.cif
285431	2023-08-03	cif/ Adding structures of 7247129 via cif-deposit CGI script.	7247129.cif