Crystallography Open Database

Information card for entry 2234344

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Structure parameters

Chemical name	1,4-Phenylenebis(methylene) dicarbamate
Formula	C10 H12 N2 O4
Calculated formula	C10 H12 N2 O4
SMILES	NC(=O)OCc1ccc(cc1)COC(=O)N
Title of publication	1,4-Phenylenebis(methylene) dicarbamate
Authors of publication	Li, Zhi
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	4
Pages of publication	o1227
a	4.9542 ± 0.0014 Å
b	6.4194 ± 0.0018 Å
c	8.418 ± 0.002 Å
α	79.29 ± 0.004°
β	79.351 ± 0.004°
γ	88.64 ± 0.004°
Cell volume	258.51 ± 0.12 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 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	0.0439
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.0998
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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