Crystallography Open Database

Information card for entry 8000096

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Structure parameters

Common name	anthryldiphosphene
Chemical name	9-anthryldiphosphene
Formula	C41 H68 P2 Si6
Calculated formula	C41 H68 P2 Si6
SMILES	P(=Pc1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)c1c2ccccc2cc2ccccc12
Title of publication	Synthesis and Properties of 9-Anthryldiphosphene
Authors of publication	Sasamori, Takahiro; Tsurusaki, Akihiro; Nagahora, Noriyoshi; Matsuda, Kazunari; Kanemitsu, Yoshihiko; Watanabe, Yasuaki; Furukawa, Yukio; Tokitoh, Norihiro
Journal of publication	Chemistry Letters
Year of publication	2006
Journal volume	35
Journal issue	12
Pages of publication	1382
a	9.3648 ± 0.0004 Å
b	10.9768 ± 0.0004 Å
c	23.3567 ± 0.0011 Å
α	80.0636 ± 0.0018°
β	89.1003 ± 0.0016°
γ	86.533 ± 0.003°
Cell volume	2360.59 ± 0.17 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1117
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for significantly intense reflections	0.1576
Weighted residual factors for all reflections included in the refinement	0.1774
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
301880 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure.	8000096.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	8000096.cif
94251	2014-01-22	cif/ Adding structures of 8000096 via cif-deposit CGI script.	8000096.cif