Crystallography Open Database

Information card for entry 7158239

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Coordinates	7158239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 F N2 O5
Calculated formula	C19 H17 F N2 O5
Title of publication	Enantioselective synthesis of chiral 3-alkyl-3-nitro-4-chromanones via chiral thiourea-catalysed intramolecular Michael-type cyclization.
Authors of publication	Chen, Huiqing; Tang, Jie; Liu, Ting; Yu, Li-Fang; Xing, Dong; Yang, Fan
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	34
Pages of publication	7403 - 7408
a	9.5302 ± 0.0003 Å
b	9.5302 ± 0.0003 Å
c	19.3236 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1755.06 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.0307
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0713
Weighted residual factors for all reflections included in the refinement	0.0726
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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