Crystallography Open Database

Information card for entry 7235334

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Coordinates	7235334.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H21 N O4
Calculated formula	C18 H21 N O4
Title of publication	Conformationally restricted glutamic acid analogues: stereoisomers of 1-aminospiro[3.3]heptane-1,6-dicarboxylic acid
Authors of publication	Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Volochnyuk, Dmitriy M.; Shishkina, Svitlana V.; Shishkin, Oleg V.; Komarov, Igor V.
Journal of publication	RSC Advances
Year of publication	2014
Journal volume	4
Journal issue	21
Pages of publication	10894
a	6.094 ± 0.0005 Å
b	15.4178 ± 0.0015 Å
c	17.637 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1657.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.2135
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.0471
Weighted residual factors for all reflections included in the refinement	0.0637
Goodness-of-fit parameter for all reflections included in the refinement	0.793
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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