Crystallography Open Database

Information card for entry 7057564

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Coordinates	7057564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H8 N5 O2.5
Calculated formula	C7 H8 N5 O2.5
Title of publication	Crystal structures of N6-modified-aminoacid/peptide nucleobase analogs: hybrid adenine‒glycine and adenine‒glycylglycine molecules
Authors of publication	García-Raso, Angel; Terrón, Angel; Bauzá, Antonio; Frontera, Antonio; Molina, Jhon J.; Vázquez-López, Ezequiel M.; Fiol, Juan J.
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	18
Pages of publication	14742
a	20.6228 ± 0.0016 Å
b	4.8896 ± 0.0003 Å
c	17.0577 ± 0.0013 Å
α	90°
β	113.615 ± 0.003°
γ	90°
Cell volume	1576 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0855
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.0891
Weighted residual factors for all reflections included in the refinement	0.1018
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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