Crystallography Open Database

Information card for entry 1504689

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Coordinates	1504689.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	dimer
Chemical name	1,4-Bis[2-phenyl-1-(2,4,6-tri-tert-butylphenyl)benzophosphole-3-yl]benzene
Formula	C35 H40 P
Calculated formula	C35 H40 P
Title of publication	Modular synthesis of benzo[b]phosphole derivatives via BuLi-mediated cyclization of (o-alkynylphenyl)phosphine.
Authors of publication	Tsuji, Hayato; Sato, Kosuke; Ilies, Laurean; Itoh, Yoshimitsu; Sato, Yoshiharu; Nakamura, Eiichi
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	11
Pages of publication	2263 - 2265
a	9.111 ± 0.002 Å
b	10.465 ± 0.0015 Å
c	15.377 ± 0.004 Å
α	95.954 ± 0.007°
β	101.137 ± 0.011°
γ	94.765 ± 0.008°
Cell volume	1422.8 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0649
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1544
Weighted residual factors for all reflections included in the refinement	0.1616
Goodness-of-fit parameter for all reflections included in the refinement	1.141
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1504689.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504689.cif
42290	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504689 via cif-deposit CGI script.	1504689.cif