Crystallography Open Database

Information card for entry 7051688

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Structure parameters

Formula	C26 H23 O P
Calculated formula	C26 H23 O P
SMILES	P1(=O)(c2ccccc2)C(=C2C(=C1c1ccccc1)CCCC2)c1ccccc1
Title of publication	Aggregation-induced emission of dendritic phosphole oxides
Authors of publication	Shiraishi, Kentaro; Kashiwabara, Taigo; Sanji, Takanobu; Tanaka, Masato
Journal of publication	New Journal of Chemistry
Year of publication	2009
Journal volume	33
Journal issue	8
Pages of publication	1680
a	8.737 ± 0.002 Å
b	14.917 ± 0.004 Å
c	15.313 ± 0.004 Å
α	90°
β	103.399 ± 0.004°
γ	90°
Cell volume	1941.4 ± 0.9 Å³
Cell temperature	113.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.034
Weighted residual factors for all reflections included in the refinement	0.047
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
202017 (current)	2017-10-14	cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	7051688.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7051688.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7051688.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7051688.cif
1161	2010-05-08	cif/7/ Adding data from New-J-Chem-2009/.	7051688.cif