Crystallography Open Database

Information card for entry 2208067

2208066 << 2208067 >> 2208068

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Structure parameters

Chemical name	1-(Carbamoylmethyl)-5-oxopyrrolidin-3-yl acetate
Formula	C8 H12 N2 O4
Calculated formula	C8 H12 N2 O4
SMILES	O=C1N(CC(OC(=O)C)C1)CC(=O)N
Title of publication	1-(Carbamoylmethyl)-5-oxopyrrolidin-3-yl acetate
Authors of publication	Xin Chen; Zhi Fan; Ming Yu; Zuo-Liang Jing; Chun-Hua Diao; Qi-Liang Deng
Journal of publication	Acta Crystallographica Section E
Year of publication	2006
Journal volume	62
Journal issue	2
Pages of publication	o478 - o479
a	16.838 ± 0.009 Å
b	26.184 ± 0.014 Å
c	8.419 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3712 ± 4 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0786
Weighted residual factors for all reflections included in the refinement	0.0821
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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