Crystallography Open Database

Information card for entry 4333340

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Structure parameters

Formula	C30 H50 Cl2 O9 P2
Calculated formula	C30 H50 Cl2 O9 P2
Title of publication	Interaction of tertiary phosphines with lignin-type, alpha,beta-unsaturated aldehydes in water.
Authors of publication	Moiseev, Dmitry V.; Patrick, Brian O.; James, Brian R.; Hu, Thomas Q.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	22
Pages of publication	9389 - 9399
a	10.186 ± 0.001 Å
b	31.887 ± 0.003 Å
c	11.314 ± 0.001 Å
α	90°
β	102.084 ± 0.004°
γ	90°
Cell volume	3593.4 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0734
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.106
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4333340.cif
179436	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/33.	4333340.cif
116728	2014-06-13	cif/ Updating files of 4333339, 4333340 Original log message: Adding full bibliography for 4333339--4333340.cif.	4333340.cif
98941	2014-01-30	cif/ Adding structures of 4333340 via cif-deposit CGI script.	4333340.cif