Crystallography Open Database

Information card for entry 7717327

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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, R.
Journal of publication	Dalton Transactions
Year of publication	2024
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

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