Crystallography Open Database

Information card for entry 4500600

Preview

Coordinates	4500600.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H20 N O4
Calculated formula	C13 H20 N O4
Title of publication	On the Track of New Multicomponent Gabapentin Crystal Forms: Synthon Competition and pH Stability
Authors of publication	André, Vânia; Fernandes, Auguste; Santos, Pedro Paulo; Duarte, M. Teresa
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	6
Pages of publication	2325
a	27.324 ± 0.017 Å
b	6.433 ± 0.003 Å
c	14.561 ± 0.008 Å
α	90°
β	101.14 ± 0.018°
γ	90°
Cell volume	2511 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0922
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.092
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	0.922
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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