Crystallography Open Database

Information card for entry 1573039

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Coordinates	1573039.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H36 N2 O4 Os
Calculated formula	C18 H36 N2 O4 Os
Title of publication	Hyperstable alkenes: are they remarkably unreactive?
Authors of publication	Summersgill, Matthew D.; Gahan, Lawrence R.; Chow, Sharon; Pierens, Gregory K.; Bernhardt, Paul V.; Krenske, Elizabeth H.; Williams, Craig M.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	46
Pages of publication	19299 - 19306
a	11.454 ± 0.0002 Å
b	11.5998 ± 0.0002 Å
c	15.4489 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2052.6 ± 0.06 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 2 K
Number of distinct elements	5
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	0.0397
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0953
Weighted residual factors for all reflections included in the refinement	0.0965
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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