Crystallography Open Database

Information card for entry 7063077

Preview

Coordinates	7063077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H22 O4
Calculated formula	C21 H22 O4
Title of publication	Enantioselective insertion of vinyl diazoacetates into O–H bonds of carboxylic acids
Authors of publication	Chen, Jiawei; Shao, Ying; Tang, Shengbiao; Sun, Jiangtao
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	12
Pages of publication	5092 - 5096
a	5.9532 ± 0.0001 Å
b	10.2293 ± 0.0002 Å
c	22.7669 ± 0.0004 Å
α	90.064 ± 0.001°
β	93.193 ± 0.001°
γ	92.558 ± 0.001°
Cell volume	1382.9 ± 0.04 Å³
Cell temperature	213 K
Ambient diffraction temperature	213 K
Number of distinct elements	3
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0831
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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