Crystallography Open Database

Information card for entry 4024410

Preview

Coordinates	4024410.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Meldrum's Acid
Formula	C6 H8 O4
Calculated formula	C6 H8 O4
Title of publication	Chemical Bonding and Structure-Reactivity Correlation in Meldrum's Acid: A Combined Experimental and Theoretical Electron Density Study
Authors of publication	Deepak Chopra; Vladimir V. Zhurov; Elizabeth A. Zhurova; A. Alan Pinkerton
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	2389 - 2395
a	5.9053 ± 0.0001 Å
b	13.5525 ± 0.0002 Å
c	16.3577 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1309.1 ± 0.1 Å³
Cell temperature	20 ± 0.05 K
Ambient diffraction temperature	20 ± 0.05 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	0.013
Residual factor for significantly intense reflections	0.013
Weighted residual factors for all reflections included in the refinement	0.023
RFsqd	0.015
Goodness-of-fit parameter for all reflections included in the refinement	1.0473
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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