Crystallography Open Database

Information card for entry 4024032

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Coordinates	4024032.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H13 N3 O2
Calculated formula	C8 H13 N3 O2
Title of publication	Enols of Substituted Cyanomalonamides
Authors of publication	Ahmad Basheer; Hiroshi Yamataka; Salai Cheettu Ammal; Zvi Rappoport
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	5297 - 5312
a	15.29 ± 0.01 Å
b	6.194 ± 0.005 Å
c	11.358 ± 0.008 Å
α	90°
β	101.521 ± 0.012°
γ	90°
Cell volume	1054.1 ± 1.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.268
Residual factor for significantly intense reflections	0.1198
Weighted residual factors for significantly intense reflections	0.2738
Weighted residual factors for all reflections included in the refinement	0.3431
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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