Crystallography Open Database

Information card for entry 2006859

2006858 << 2006859 >> 2006860

Preview

Structure parameters

Formula	C14 H15 N O8
Calculated formula	C14 H15 N O8
SMILES	O1C(C)(C)OC(=O)C(=CNC=C2C(=O)OC(OC2=O)(C)C)\C1=O
Title of publication	An Extended Imide Containing Two Methylene Meldrum's Acid Units
Authors of publication	Blake, Alexander J.; McNab, Hamish; Parsons, Simon; Withell, Kirsti
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	12
Pages of publication	1956 - 1958
a	5.191 ± 0.004 Å
b	11.627 ± 0.006 Å
c	12.998 ± 0.007 Å
α	75.8 ± 0.04°
β	79.33 ± 0.06°
γ	88.49 ± 0.06°
Cell volume	747.2 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2159
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for all reflections	0.1127
Weighted residual factors for significantly intense reflections	0.0753
Goodness-of-fit parameter for all reflections	0.98
Goodness-of-fit parameter for significantly intense reflections	1.205
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2006859.html