Crystallography Open Database

Information card for entry 1504549

Preview

Coordinates	1504549.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	cis-1
Chemical name	cis-P,P'-diphenyl-benzophospholo[3,2-b]benzophosphole-P,P'-dioxide
Formula	C26 H18 O2 P2
Calculated formula	C26 H18 O2 P2
SMILES	c12ccccc1[P@@](=O)(C1=C2[P@](=O)(c2c1cccc2)c1ccccc1)c1ccccc1.c12ccccc1[P@](=O)(C1=C2[P@@](=O)(c2c1cccc2)c1ccccc1)c1ccccc1
Title of publication	Bis-phosphoryl-bridged stilbenes synthesized by an intramolecular cascade cyclization.
Authors of publication	Fukazawa, Aiko; Hara, Masanao; Okamoto, Toshihiro; Son, Eun-Cheol; Xu, Caihong; Tamao, Kohei; Yamaguchi, Shigehiro
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	5
Pages of publication	913 - 916
a	14.45 ± 0.03 Å
b	8.41 ± 0.03 Å
c	17.47 ± 0.04 Å
α	90°
β	102.697 ± 0.017°
γ	90°
Cell volume	2071 ± 10 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0875
Residual factor for significantly intense reflections	0.0698
Weighted residual factors for significantly intense reflections	0.148
Weighted residual factors for all reflections included in the refinement	0.1604
Goodness-of-fit parameter for all reflections included in the refinement	1.135
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1504549.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504549.cif
42163	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504549 via cif-deposit CGI script.	1504549.cif