Crystallography Open Database

Information card for entry 7159585

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Coordinates	7159585.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H27 N O5
Calculated formula	C25 H27 N O5
Title of publication	Borane catalyzed transesterification of <i>tert</i>-butyl esters using α-aryl α-diazoesters.
Authors of publication	Yan, Maying; Xiao, Lei; Xiong, Jiangkun; Jin, Lvnan; Stephan, Douglas W.; Guo, Jing
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	41
Pages of publication	8279 - 8283
a	15.6014 ± 0.0004 Å
b	16.7367 ± 0.0004 Å
c	17.4153 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4547.41 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0575
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1213
Weighted residual factors for all reflections included in the refinement	0.1305
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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