Crystallography Open Database

Information card for entry 4120316

4120315 << 4120316 >> 4120317

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Structure parameters

Formula	C10 H12 N2 O2
Calculated formula	C10 H12 N2 O2
SMILES	Oc1ccc(C(=O)NN=C(C)C)cc1
Title of publication	Biomimetic Crystalline Actuators: Structure-Kinematic Aspects of the Self-Actuation and Motility of Thermosalient Crystals
Authors of publication	Subash Chandra Sahoo; Manas K. Panda; Naba K. Nath; Panče Naumov
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	12241 - 12251
a	7.6315 ± 0.0011 Å
b	12.0996 ± 0.0017 Å
c	10.2473 ± 0.0014 Å
α	90°
β	97.95 ± 0.002°
γ	90°
Cell volume	937.1 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1178
Weighted residual factors for all reflections included in the refinement	0.129
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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