Crystallography Open Database

Information card for entry 4121200

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Coordinates	4121200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H34 B Li N2 O6
Calculated formula	C33 H34 B Li N2 O6
Title of publication	In Situ Assembled Boronate Ester Assisted Chiral Carboxylic Acid Catalyzed Asymmetric Trans-Aziridinations
Authors of publication	Takuya Hashimoto; Alberto Osuna Gálvez; Keiji Maruoka
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	17667 - 17670
a	6.3104 ± 0.0006 Å
b	11.2957 ± 0.001 Å
c	11.5156 ± 0.0011 Å
α	113.259 ± 0.006°
β	97.63 ± 0.006°
γ	94.944 ± 0.006°
Cell volume	738.74 ± 0.13 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for significantly intense reflections	0.0747
Weighted residual factors for all reflections included in the refinement	0.277
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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