Crystallography Open Database

Information card for entry 4020063

4020062 << 4020063 >> 4020064

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Coordinates	4020063.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H20 O7
Calculated formula	C19 H20 O7
Authors of publication	Craig I. Turner; Michael N. Paddon-Row; Anthony C. Willis; Michael S. Sherburn
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	1154 - 1163
a	10.814 ± 0.0001 Å
b	13.7985 ± 0.0002 Å
c	23.5044 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3507.26 ± 0.07 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	3
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	0.0392
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for all reflections	0.0451
Weighted residual factors for significantly intense reflections	0.041
Weighted residual factors for all reflections included in the refinement	0.041
Goodness-of-fit parameter for all reflections included in the refinement	1.0803
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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