Crystallography Open Database

Information card for entry 7160085

Preview

Coordinates	7160085.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H20 Br F2 N O2
Calculated formula	C25 H20 Br F2 N O2
Title of publication	NHC catalyzed radical tandem cyclization: an efficient synthesis of α,α-difluoro-γ-lactam derivatives.
Authors of publication	Huang, Tianjiao; Yin, Huiping; Li, Tuanjie; Yu, Chenxia; Zhang, Kai; Yao, Changsheng
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	34
Pages of publication	6988 - 6998
a	10.1467 ± 0.0005 Å
b	10.3698 ± 0.0005 Å
c	11.2435 ± 0.0005 Å
α	75.044 ± 0.002°
β	76.595 ± 0.002°
γ	76.84 ± 0.002°
Cell volume	1093.94 ± 0.09 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1403
Residual factor for significantly intense reflections	0.082
Weighted residual factors for significantly intense reflections	0.1896
Weighted residual factors for all reflections included in the refinement	0.2325
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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