Crystallography Open Database

Information card for entry 7125662

Preview

Coordinates	7125662.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H20 O4
Calculated formula	C17 H20 O4
Title of publication	Metal-free C-C, C-O, C-S and C-N bond formation enabled by SBA-15 supported TFMSA.
Authors of publication	Yi, Xiangyan; Feng, Jiajun; Huang, Fei; Baell, Jonathan Bayldon
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	8
Pages of publication	1243 - 1246
a	8.2804 ± 0.0004 Å
b	8.1597 ± 0.0003 Å
c	23.4123 ± 0.0009 Å
α	90°
β	90.403 ± 0.001°
γ	90°
Cell volume	1581.83 ± 0.11 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0696
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1491
Weighted residual factors for all reflections included in the refinement	0.1606
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
247583 (current)	2020-02-04	cif/ Updating files of 7125662, 7125663 Original log message: Adding full bibliography for 7125662--7125663.cif.	7125662.cif
245289	2019-12-18	cif/ Adding structures of 7125662, 7125663 via cif-deposit CGI script.	7125662.cif