Crystallography Open Database

Information card for entry 2206989

2206988 << 2206989 >> 2206990

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2206989.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	(3-methoxycarbonylamino-4-methyl-phenyl)-carbamic acid methyl ester
Formula	C11 H14 N2 O4
Calculated formula	C11 H14 N2 O4
SMILES	O=C(OC)Nc1ccc(C)c(NC(=O)OC)c1
Title of publication	Dimethyl <i>N</i>,<i>N</i>'-(4-methyl-<i>m</i>-phenylene)dicarbamate
Authors of publication	Yong-Yan Lu; Qiu-Xiang Yin; Jing-Kang Wang; Li-Na Zhou
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	10
Pages of publication	o3412 - o3413
a	7.4223 ± 0.0015 Å
b	8.1444 ± 0.0016 Å
c	10.642 ± 0.002 Å
α	74.01 ± 0.03°
β	71.64 ± 0.03°
γ	75.44 ± 0.03°
Cell volume	577.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0552
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1663
Weighted residual factors for all reflections included in the refinement	0.171
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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