Crystallography Open Database

Information card for entry 7708499

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Coordinates	7708499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H48 O5 P
Calculated formula	C28 H48 O5 P
Title of publication	Di(hydroperoxy)adamantane Adducts: Synthesis, Characterization and Application as Oxidizers for the Direct Esterification of Aldehydes
Authors of publication	Arp, Fabian Felix; Ashirov, Rahym; Bhuvanesh, Nattamai; Bluemel, Janet
Journal of publication	Dalton Transactions
Year of publication	2021
a	9.6844 ± 0.0003 Å
b	11.1339 ± 0.0004 Å
c	13.0829 ± 0.0005 Å
α	99.306 ± 0.001°
β	96.035 ± 0.001°
γ	90.687 ± 0.001°
Cell volume	1383.78 ± 0.08 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1015
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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