Crystallography Open Database

Information card for entry 7223117

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Structure parameters

Formula	C25 H23 N2 O2 P
Calculated formula	C25 H23 N2 O2 P
SMILES	P1(=O)(c2ccccc2)c2n(C)c3c(c2c2c4ccccc4n(C)c12)cccc3.OC
Title of publication	Electroluminescence and Fluorescence Response towards Acid Vapors Depending on the Structures of Indole-fused Phospholes
Authors of publication	Gong, Peng; Ye, Kaiqi; Sun, Jingbo; Chen, Peng; Xue, peng chong; Yang, Hao; Lu, Ran
Journal of publication	RSC Adv.
Year of publication	2015
a	9.6861 ± 0.0019 Å
b	11.136 ± 0.002 Å
c	12.338 ± 0.003 Å
α	113.11 ± 0.03°
β	95.32 ± 0.03°
γ	113.21 ± 0.03°
Cell volume	1075.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0921
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1479
Weighted residual factors for all reflections included in the refinement	0.1706
Goodness-of-fit parameter for all reflections included in the refinement	1
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.	7223117.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7223117.cif
169945	2015-10-31	cif/ Adding structures of 7223117, 7223118 via cif-deposit CGI script.	7223117.cif