Crystallography Open Database

Information card for entry 7113284

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Coordinates	7113284.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H17 Br O3
Calculated formula	C15 H17 Br O3
Title of publication	Sidearm effects in the enantioselective cyclopropanation of alkenes with aryldiazoacetates catalyzed by trisoxazoline/Cu(I)
Authors of publication	Xu, Zheng-Hu; Zhu, Sha-Na; Sun, Xiu-Li; Tang, Yong; Dai, Li-Xin
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2007
Journal issue	19
Pages of publication	1960 - 1962
a	34.229 ± 0.002 Å
b	34.229 ± 0.002 Å
c	6.4878 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	6582.9 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0978
Residual factor for significantly intense reflections	0.0782
Weighted residual factors for significantly intense reflections	0.1774
Weighted residual factors for all reflections included in the refinement	0.1826
Goodness-of-fit parameter for all reflections included in the refinement	1.134
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7101889
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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