Crystallography Open Database

Information card for entry 1575135

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Coordinates	1575135.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H48 Br4 Cs2 Ni O12
Calculated formula	C24 H48 Br4 Cs2 Ni O12
Title of publication	Intramolecular nitrogen insertion of oxime ester to access aminated N-heterocycles
Authors of publication	Wang, Han; Feng, Jing; Liu, Dan-Ni; Yu, Mingming; Xu, Ze-Feng; Li, Chuan-Ying
Journal of publication	Green Chemistry
Year of publication	2025
Journal volume	27
Journal issue	31
Pages of publication	9445 - 9451
a	21.3069 ± 0.0005 Å
b	21.3069 ± 0.0005 Å
c	42.148 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	19134.5 ± 1.1 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	73
Hermann-Mauguin space group symbol	I b c a
Hall space group symbol	-I 2b 2c
Residual factor for all reflections	0.0925
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0915
Goodness-of-fit parameter for all reflections included in the refinement	0.982
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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