Crystallography Open Database

Information card for entry 7126587

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Coordinates	7126587.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H27 N O4 S
Calculated formula	C33 H27 N O4 S
Title of publication	Modified cinchona alkaloid-catalysed enantioselective [4+4] annulations of cyclobutenones and 1-azadienes.
Authors of publication	Jiang, Bo; Du, Wei; Chen, Ying-Chun
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	53
Pages of publication	7257 - 7260
a	27.6807 ± 0.0005 Å
b	27.6807 ± 0.0005 Å
c	9.6164 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	6381.1 ± 0.3 Å³
Cell temperature	293.3 ± 0.7 K
Ambient diffraction temperature	293.3 ± 0.7 K
Number of distinct elements	5
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0527
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1402
Weighted residual factors for all reflections included in the refinement	0.1448
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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