Crystallography Open Database

Information card for entry 4119821

4119820 << 4119821 >> 4119822

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Coordinates	4119821.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H33 N O5
Calculated formula	C32 H33 N O5
Title of publication	Copper-Catalyzed Highly Enantioselective Cyclopentannulation of Indoles with Donor-Acceptor Cyclopropanes
Authors of publication	Hu Xiong; Hao Xu; Saihu Liao; Zuowei Xie; Yong Tang
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	7851 - 7854
a	10.1812 ± 0.0011 Å
b	17.5643 ± 0.0019 Å
c	14.5731 ± 0.0015 Å
α	90°
β	99.106 ± 0.002°
γ	90°
Cell volume	2573.2 ± 0.5 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0825
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1306
Weighted residual factors for all reflections included in the refinement	0.1454
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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