Crystallography Open Database

Information card for entry 7225342

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Structure parameters

Formula	C19 H15 O P
Calculated formula	C19 H15 O P
SMILES	C(=O)c1ccc(cc1)P(c1ccccc1)c1ccccc1
Title of publication	Enhanced room-temperature phosphorescence of triphenylphosphine derivatives without metal and heavy atoms in their crystal phase
Authors of publication	Xue, Pengchong; Wang, Panpan; Chen, Peng; Ding, Jipeng; Lu, Ran
Journal of publication	RSC Adv.
Year of publication	2016
Journal volume	6
Journal issue	57
Pages of publication	51683
a	10.1947 ± 0.0006 Å
b	8.73 ± 0.0005 Å
c	34.4274 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	3064 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
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	0.0821
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1148
Weighted residual factors for all reflections included in the refinement	0.1291
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7225342.cif
183095	2016-05-27	cif/ Adding structures of 7225342, 7225343 via cif-deposit CGI script.	7225342.cif