Crystallography Open Database

Information card for entry 1569920

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Coordinates	1569920.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H25 N O5 S
Calculated formula	C26 H25 N O5 S
Title of publication	Chemodivergence in Pd-catalyzed desymmetrization of allenes: enantioselective [4+3] cycloaddition, desymmetric allenylic substitution and enynylation.
Authors of publication	Luo, Pengfei; Li, Long; Mao, Xinfang; Sun, Zheng; Wang, Yingcheng; Peng, Fangzhi; Shao, Zhihui
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	39
Pages of publication	10812 - 10823
a	6.0455 ± 0.0001 Å
b	15.2328 ± 0.0003 Å
c	25.3404 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2333.59 ± 0.08 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0406
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0922
Weighted residual factors for all reflections included in the refinement	0.0954
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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