Crystallography Open Database

Information card for entry 1577466

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Coordinates	Coordinates are not available: file is not found.
Original IUCr paper	HTML

Structure parameters

Formula	C4 H7 N O4
Calculated formula	C4 H7 N O4
Title of publication	Twinned L-aspartic acid
Authors of publication	Lutz, Martin
Journal of publication	IUCrData
Year of publication	2025
Journal volume	10
Journal issue	10
Pages of publication	0 - 0
a	5.1237 ± 0.0002 Å
b	6.9197 ± 0.0003 Å
c	7.6006 ± 0.0004 Å
α	90°
β	100.442 ± 0.002°
γ	90°
Cell volume	265.01 ± 0.02 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.017
Residual factor for significantly intense reflections	0.0165
Weighted residual factors for significantly intense reflections	0.0368
Weighted residual factors for all reflections included in the refinement	0.0369
Goodness-of-fit parameter for all reflections included in the refinement	0.9865
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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