Crystallography Open Database

Information card for entry 2232111

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Structure parameters

Common name	(<i>R</i>~p~,<i>R</i>~p~)-Bis[(3-menthyloxy)(phenyl)phosphinoyl] disulfide
Chemical name	(<i>R</i>~P~,<i>R</i>~P~)-Bis[(2-isopropyl-5- methylcyclohexyloxy)(phenyl)phosphinoyl] disulfide
Formula	C32 H48 O4 P2 S2
Calculated formula	C32 H48 O4 P2 S2
SMILES	[C@@H]1(C[C@@H](O[P@@](=O)(c2ccccc2)SS[P@@](=O)(O[C@@H]2C[C@@H](CC[C@H]2C(C)C)C)c2ccccc2)[C@@H](CC1)C(C)C)C
Title of publication	(<i>R</i>~P~,<i>R</i>~P~)-Bis[(3-menthyloxy)(phenyl)phosphinoyl] disulfide
Authors of publication	Xu, Zhong-Yuan; Zhao, Chang-Qiu
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	10
Pages of publication	o2802
a	9.991 ± 0.0009 Å
b	18.91 ± 0.0017 Å
c	8.9747 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1695.6 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0627
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.0736
Weighted residual factors for all reflections included in the refinement	0.0799
Goodness-of-fit parameter for all reflections included in the refinement	0.908
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
301806 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure.	2232111.cif 2232111.hkl
181243	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/21.	2232111.cif 2232111.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2232111.cif 2232111.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2232111.cif 2232111.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2232111.cif 2232111.hkl
29951	2011-11-08	hkl/ Adding the most recent Fobs data from the IUCr journals.	2232111.cif 2232111.hkl
29405	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 2232111 via cif-deposit CGI script.	2232111.cif