Crystallography Open Database

Information card for entry 7708501

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Coordinates	7708501.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	21.0842 ± 0.0016 Å
b	11.7871 ± 0.0009 Å
c	21.7655 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	5409.2 ± 0.7 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	4
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	0.0456
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.0945
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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