Crystallography Open Database

Information card for entry 7234587

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Coordinates	7234587.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	protonated BTImP
Formula	C35 H28 Cl N3 O3 S
Calculated formula	C35 H28 Cl N3 O3 S
Title of publication	An ESIPT fluorophore with a switchable intramolecular hydrogen bond for applications in solid-state fluorochromism and white light generation
Authors of publication	Ken-ichi Sakai; Saki Tsuchiya; Takemitsu Kikuchi; Tomoyuki Akutagawa
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	2011 - 2016
a	7.3303 ± 0.0002 Å
b	23.9278 ± 0.0007 Å
c	17.5078 ± 0.0006 Å
α	90°
β	99.1818 ± 0.0017°
γ	90°
Cell volume	3031.49 ± 0.16 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1729
Residual factor for significantly intense reflections	0.1044
Weighted residual factors for significantly intense reflections	0.2405
Weighted residual factors for all reflections included in the refinement	0.3273
Goodness-of-fit parameter for all reflections included in the refinement	0.976
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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