Crystallography Open Database

Information card for entry 7123001

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Coordinates	7123001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H23 F N2 O5
Calculated formula	C25 H23 F N2 O5
Title of publication	Phosphine-Catalysed Asymmetric Dearomative Formal [4 + 2] Cycloadditions of 3-Benzofuranyl Vinyl Ketones
Authors of publication	Xiao, Ben-Xian; Jiang, Bo; Song, Xue; Du, Wei; Chen, Ying-Chun
Journal of publication	Chemical Communications
Year of publication	2019
a	18.2786 ± 0.0004 Å
b	18.2786 ± 0.0004 Å
c	13.4615 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4497.58 ± 0.19 Å³
Cell temperature	295.4 ± 0.8 K
Ambient diffraction temperature	295.4 ± 0.8 K
Number of distinct elements	5
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0562
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1396
Weighted residual factors for all reflections included in the refinement	0.1457
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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