Crystallography Open Database

Information card for entry 1506688

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Structure parameters

Formula	C29 H24 O1.5 P
Calculated formula	C29 H24 O1.5 P
Title of publication	Ruthenium-catalyzed formation of aryl(diphenyl)phosphine oxides by reactions of propargylic alcohols with diphenylphosphine oxide.
Authors of publication	Onodera, Gen; Matsumoto, Hideyuki; Milton, Marilyn Daisy; Nishibayashi, Yoshiaki; Uemura, Sakae
Journal of publication	Organic letters
Year of publication	2005
Journal volume	7
Journal issue	18
Pages of publication	4029 - 4032
a	22.652 ± 0.008 Å
b	10.982 ± 0.004 Å
c	18.713 ± 0.004 Å
α	90°
β	95.607 ± 0.011°
γ	90°
Cell volume	4633 ± 3 Å³
Cell temperature	296.1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for all reflections included in the refinement	0.0581
Goodness-of-fit parameter for all reflections included in the refinement	7.312
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1506688.cif
176435	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1506688.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506688.cif
50507	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506688 via cif-deposit CGI script.	1506688.cif