Crystallography Open Database

Information card for entry 1576854

Preview

Coordinates	1576854.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H23 F3 N2 O5
Calculated formula	C27 H23 F3 N2 O5
Title of publication	Stereoselective palladium-catalyzed carboetherification of cyclopropenes <i>via</i> a tethering strategy.
Authors of publication	Brownsey, Duncan K.; Schoepfer, Alexandre A.; Waser, Jerome
Journal of publication	Chemical science
Year of publication	2026
Journal volume	17
Journal issue	10
Pages of publication	5072 - 5078
a	25.415 ± 0.0005 Å
b	9.4489 ± 0.00015 Å
c	21.1616 ± 0.0003 Å
α	90°
β	110.432 ± 0.002°
γ	90°
Cell volume	4762.11 ± 0.15 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 0.1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0514
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1062
Weighted residual factors for all reflections included in the refinement	0.1121
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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