Crystallography Open Database

Information card for entry 7057960

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Coordinates	7057960.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H11 Cl2 N3 O4 S
Calculated formula	C15 H11 Cl2 N3 O4 S
Title of publication	Organocatalytic enantioselective functionalization of indoles in the carbocyclic ring with cyclic imines
Authors of publication	Vila, Carlos; Tortosa, Arturo; Blay, Gonzalo; Muñoz, M. Carmen; Pedro, José R.
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	1
Pages of publication	130
a	23.75 ± 0.0005 Å
b	23.75 ± 0.0005 Å
c	5.1239 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	2502.99 ± 0.09 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	170
Hermann-Mauguin space group symbol	P 65
Hall space group symbol	P 65
Residual factor for all reflections	0.0536
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1632
Weighted residual factors for all reflections included in the refinement	0.1669
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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