Crystallography Open Database

Information card for entry 7156382

Preview

Coordinates	7156382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H40 Br2 N2 O10
Calculated formula	C40 H40 Br2 N2 O10
Title of publication	Different hybridized oxygen atoms controlled chemoselective formation of oxocarbenium ions: synthesis of chiral heterocyclic compounds.
Authors of publication	Wu, Xiao-Na; You, Zhi-Hao; Liu, Yan-Kai
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	35
Pages of publication	6507 - 6520
a	6.6706 ± 0.001 Å
b	25.351 ± 0.004 Å
c	11.3316 ± 0.0017 Å
α	90°
β	89.9°
γ	90°
Cell volume	1916.2 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0668
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1627
Weighted residual factors for all reflections included in the refinement	0.1664
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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