Crystallography Open Database

Information card for entry 7161068

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Coordinates	7161068.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 Br N3 O2
Calculated formula	C24 H20 Br N3 O2
Title of publication	Asymmetric Tandem Reaction of Dicyanoalkenes with Conjugated Sulfinyl Imino Esters
Authors of publication	Ferrer-Pérez, Francesc; Escolano, Marcos; Gaviña, Daniel; Diaz-Oltra, Santiago; Sanz-Marco, Amparo; Sanchez-Rosello, Maria; del Pozo Losada, Carlos
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2025
a	13.19 ± 0.0006 Å
b	17.5158 ± 0.0007 Å
c	9.1469 ± 0.0004 Å
α	90°
β	91.132 ± 0.001°
γ	90°
Cell volume	2112.83 ± 0.16 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.146
Residual factor for significantly intense reflections	0.0857
Weighted residual factors for significantly intense reflections	0.145
Weighted residual factors for all reflections included in the refinement	0.1645
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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