Crystallography Open Database

Information card for entry 7708500

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Coordinates	7708500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H37 O5 P
Calculated formula	C31 H37 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	16.0424 ± 0.0017 Å
b	11.7362 ± 0.0012 Å
c	14.7397 ± 0.0016 Å
α	90°
β	106.362 ± 0.003°
γ	90°
Cell volume	2662.8 ± 0.5 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 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	0.0482
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0938
Weighted residual factors for all reflections included in the refinement	0.0999
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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