Crystallography Open Database

Information card for entry 7234572

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Coordinates	7234572.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H38 N4 O3 S
Calculated formula	C41 H38 N4 O3 S
Title of publication	Tunable RGB luminescence of a single molecule with high quantum yields through a rational design
Authors of publication	Wen Li; Yu-Mo Zhang; Ting Zhang; Weiran Zhang; Minjie Li; Sean Xiao-An Zhang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	1527 - 1532
a	18.9533 ± 0.0012 Å
b	9.1195 ± 0.0006 Å
c	21.5823 ± 0.0013 Å
α	90°
β	113.281 ± 0.002°
γ	90°
Cell volume	3426.6 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1242
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.133
Weighted residual factors for all reflections included in the refinement	0.1604
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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