Crystallography Open Database

Information card for entry 7134477

Preview

Coordinates	7134477.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H10 Cl F N2 O5
Calculated formula	C18 H10 Cl F N2 O5
Title of publication	Organocatalytic atroposelective fluorooxindole addition to coumarin Michael acceptors
Authors of publication	Bouda, Maria; Hana, Grace E.; Xhili, Dea; Sripada, Archita; Bertke, Jeffery A.; Wolf, Christian
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	43
Pages of publication	7883 - 7886
a	9.761 ± 0.0002 Å
b	10.0249 ± 0.0002 Å
c	17.7207 ± 0.0004 Å
α	90°
β	104.683 ± 0.001°
γ	90°
Cell volume	1677.4 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0345
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.0863
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300437 (current)	2025-07-06	cif/ Updating files of 7134475, 7134476, 7134477 Original log message: Adding full bibliography for 7134475--7134477.cif.	7134477.cif
299447	2025-04-30	cif/ Adding structures of 7134475, 7134476, 7134477 via cif-deposit CGI script.	7134477.cif