Crystallography Open Database

Information card for entry 7230908

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Coordinates	7230908.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H14 O
Calculated formula	C21 H14 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	8.3434 ± 0.0007 Å
b	6.0678 ± 0.0004 Å
c	14.7523 ± 0.0012 Å
α	90°
β	103.178 ± 0.004°
γ	90°
Cell volume	727.18 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0459
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0842
Weighted residual factors for all reflections included in the refinement	0.0929
Goodness-of-fit parameter for all reflections included in the refinement	0.965
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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