Crystallography Open Database

Information card for entry 7059985

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Coordinates	7059985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H14 Cl N3 O2
Calculated formula	C8 H14 Cl N3 O2
Title of publication	An efficient synthesis of chloro-aminocyclooctanediol and aminocyclooctanetriol: an unexpected acetolysis product
Authors of publication	Karavaizoglu, Ufuk Nusret; Salamci, Emine
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	41
Pages of publication	17976 - 17983
a	20.7755 ± 0.0003 Å
b	8.7032 ± 0.0001 Å
c	22.9649 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4152.36 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0525
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1065
Weighted residual factors for all reflections included in the refinement	0.1143
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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