Crystallography Open Database

Information card for entry 7230911

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Coordinates	7230911.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H16 O
Calculated formula	C25 H16 O
Title of publication	Extending the scope of the carbonyl facilitated triplet excited state towards visible light excitation.
Authors of publication	Rajagopal, Shinaj K.; K, Nagaraj; Deb, Somadrita; Bhat, Vinayak; Sasikumar, Devika; Sebastian, Ebin; Hariharan, Mahesh
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2018
Journal volume	20
Journal issue	28
Pages of publication	19120 - 19128
a	25.998 ± 0.003 Å
b	8.5054 ± 0.0012 Å
c	7.748 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1713.3 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0644
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1161
Weighted residual factors for all reflections included in the refinement	0.1271
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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