Crystallography Open Database

Information card for entry 7717327

Preview

Coordinates	7717327.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	NV-445
Formula	C31 H19 F2 O6 P W
Calculated formula	C31 H19 F2 O6 P W
Title of publication	Oxaphosphiranes: isolable phosphorus-containing epoxide rings.
Authors of publication	Volk, Niklas; García Alcaraz, Antonio; Balasubramaniam, Selvakumar; Heumann, Jannik; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	48
Pages of publication	19351 - 19359
a	19.072 ± 0.0012 Å
b	9.5515 ± 0.0004 Å
c	16.6957 ± 0.0009 Å
α	90°
β	113.453 ± 0.004°
γ	90°
Cell volume	2790.1 ± 0.3 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
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	0.0795
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.06
Weighted residual factors for all reflections included in the refinement	0.0654
Goodness-of-fit parameter for all reflections included in the refinement	0.756
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
297116 (current)	2025-01-06	cif/ Updating files of 7717326, 7717327, 7717328, 7717329, 7717330 Original log message: Adding full bibliography for 7717326--7717330.cif.	7717327.cif
295701	2024-11-01	cif/ Adding structures of 7717326, 7717327, 7717328, 7717329, 7717330 via cif-deposit CGI script.	7717327.cif