Crystallography Open Database

Information card for entry 7234682

Preview

Coordinates	7234682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 N2 O
Calculated formula	C28 H22 N2 O
SMILES	O(C)c1ccc(c2c(n(nc2c2ccccc2)c2ccccc2)c2ccccc2)cc1
Title of publication	Synthesis, characterization and aggregation induced enhanced emission properties of tetraaryl pyrazole decorated cyclophosphazenes
Authors of publication	Vanga Mukundam; Kunchala Dhanunjayarao; Ramesh Mamidala; Krishnan Venkatasubbaiah
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	3523 - 3530
a	9.4128 ± 0.0002 Å
b	10.2247 ± 0.0002 Å
c	22.8025 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2194.58 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1002
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1024
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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