Crystallography Open Database

Information card for entry 7133483

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Coordinates	7133483.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H34 Cl2 I N2 O2
Calculated formula	C41 H34 Cl2 I N2 O2
Title of publication	Organocatalytic enantioselective (4+3) cyclization for the synthesis of spiro-fused heterocyclic compounds containing isoindolinone, oxepine and indole moieties.
Authors of publication	Rui, Kanghua; Huang, Shaoying; Wu, Yinong; Shen, Hanxiao; Lin, Xufeng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	70
Pages of publication	9400 - 9403
a	26.7116 ± 0.0011 Å
b	10.1135 ± 0.0004 Å
c	16.0912 ± 0.0006 Å
α	90°
β	122.776 ± 0.001°
γ	90°
Cell volume	3654.9 ± 0.3 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0438
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0852
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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