Crystallography Open Database

Information card for entry 1508958

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Structure parameters

Formula	C26 H24 N O2 P S
Calculated formula	C26 H24 N O2 P S
SMILES	S(=O)(=O)(N=P1(C(=C2C(=C1c1ccccc1)CCC2)c1ccccc1)c1ccccc1)C
Title of publication	Synthesis and Charge-Carrier Transport Properties of Poly(phosphole P-alkanesulfonylimide)s.
Authors of publication	Matano, Yoshihiro; Ohkubo, Hiroshi; Honsho, Yoshihito; Saito, Arihiro; Seki, Shu; Imahori, Hiroshi
Journal of publication	Organic letters
Year of publication	2013
Journal volume	15
Journal issue	4
Pages of publication	932 - 935
a	11.06 ± 0.003 Å
b	18.268 ± 0.005 Å
c	21.576 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	4359 ± 2 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0704
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1424
Weighted residual factors for all reflections included in the refinement	0.1516
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1508958.cif
201954	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1508958.cif
176729	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.	1508958.cif
75514	2013-03-10	cif/ Adding structures of 1508958 via cif-deposit CGI script.	1508958.cif