Crystallography Open Database

Information card for entry 7110945

Preview

Coordinates	7110945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H21 N O4
Calculated formula	C10 H19.416 N O4
Title of publication	Breakdown of the hydrogen bond strength‒length analogy: a revision
Authors of publication	Mascal, Mark; Marjo, Christopher E.; Blake, Alexander J.
Journal of publication	Chemical Communications
Year of publication	2000
Journal issue	17
Pages of publication	1591
a	14.291 ± 0.006 Å
b	10.933 ± 0.007 Å
c	15.38 ± 0.02 Å
α	90°
β	90.99 ± 0.11°
γ	90°
Cell volume	2403 ± 4 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 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	0.215
Residual factor for significantly intense reflections	0.152
Weighted residual factors for significantly intense reflections	0.349
Weighted residual factors for all reflections included in the refinement	0.422
Goodness-of-fit parameter for all reflections included in the refinement	1.17
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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