Crystallography Open Database

Information card for entry 7133664

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Coordinates	7133664.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H22 Br N O5
Calculated formula	C25 H22 Br N O5
Title of publication	Phosphine-catalyzed enantioselective and diastereodivergent [3+2] cyclization for the construction of oxetane dispirooxindole skeletons.
Authors of publication	Han, Xiao; Hou, Jie; Zhang, Haiyan; Wang, Zhen; Yao, Weijun
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	77
Pages of publication	10736 - 10739
a	8.958 ± 0.004 Å
b	13.864 ± 0.006 Å
c	9.026 ± 0.004 Å
α	90°
β	92.036 ± 0.008°
γ	90°
Cell volume	1120.3 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0553
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0872
Goodness-of-fit parameter for all reflections included in the refinement	0.926
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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