Crystallography Open Database: Information card for 1502107

Structure parameters

Formula	C13 H16 O4
Calculated formula	C13 H16 O4
Title of publication	Regiocontrolled rearrangement of isobenzofurans.
Authors of publication	Egan, Ben A.; Paradowski, Michael; Thomas, Lynne H.; Marquez, Rodolfo
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	8
Pages of publication	2086 - 2089
a	13.5 ± 0.003 Å
b	15.178 ± 0.003 Å
c	11.351 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2325.9 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Hermann-Mauguin symmetry space group	P b c n
Hall symmetry space group	-P 2n 2ab
Residual factor for all reflections	0.0581
Residual factor for observed reflections	0.0373
Weighted residual factors for all reflections included in the refinement	0.0924
Goodness-of-fit parameter for observed reflections	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Crystallography Open Database