Crystallography Open Database

Information card for entry 4069569

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Structure parameters

Common name	compound4d
Formula	C57 H87 N2 P2 Si7
Calculated formula	C57 H87 N2 P2 Si7
Title of publication	[4+2] Cycloaddition of 9-Anthryldiphosphene with Electron-Deficient Olefins: Transformation of a Diaryldiphosphene to Alkylaryldiphosphenes
Authors of publication	Tsurusaki, Akihiro; Sasamori, Takahiro; Tokitoh, Norihiro
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	13
Pages of publication	3604
a	11.804 ± 0.005 Å
b	12.676 ± 0.006 Å
c	22.115 ± 0.009 Å
α	74.025 ± 0.011°
β	79.207 ± 0.011°
γ	88.701 ± 0.011°
Cell volume	3123 ± 2 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1348
Residual factor for significantly intense reflections	0.0747
Weighted residual factors for significantly intense reflections	0.1225
Weighted residual factors for all reflections included in the refinement	0.1504
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301829 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure.	4069569.cif
178584	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/95.	4069569.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069569.cif
40341	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069565, 4069566, 4069567, 4069568, 4069569 via cif-deposit CGI script.	4069569.cif