Crystallography Open Database

Information card for entry 7135952

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Coordinates	7135952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 F N O4
Calculated formula	C21 H20 F N O4
Title of publication	Diversity Oriented Asymmetric Synthesis of 3,4-Disubstituted Succinimides via NHC-Catalyzed Enolate Intermediate
Authors of publication	Jagtap, Sayali G.; Vaghela, Kalindra M.; Gonnade, Rajesh G.; Mhaske, Santosh B.
Journal of publication	Chemical Communications
Year of publication	2026
a	13.1028 ± 0.0012 Å
b	5.459 ± 0.0005 Å
c	13.4341 ± 0.0013 Å
α	90°
β	107.372 ± 0.005°
γ	90°
Cell volume	917.09 ± 0.15 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1144
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1722
Weighted residual factors for all reflections included in the refinement	0.2157
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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