Crystallography Open Database

Information card for entry 7134573

Preview

Coordinates	7134573.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H14 F O3 P S
Calculated formula	C17 H14 F O3 P S
Title of publication	Cascade heteroarylation/annulation of arylphosphonic acid monoesters with benzothiophenes: access to benzothieno-fused oxaphosphacycles
Authors of publication	Paul, Tripti; Basak, Shubhajit; Nanjegowda, Maniya V.; Punniyamurthy, Tharmalingam
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	52
Pages of publication	9480 - 9483
a	7.7392 ± 0.0009 Å
b	13.4287 ± 0.0015 Å
c	15.1509 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	1574.6 ± 0.3 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 K
Number of distinct elements	6
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	0.0348
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.074
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
300455 (current)	2025-07-06	cif/ Updating files of 7134573 Original log message: Adding full bibliography for 7134573.cif.	7134573.cif
299770	2025-05-22	cif/ Adding structures of 7134573 via cif-deposit CGI script.	7134573.cif