Crystallography Open Database

Information card for entry 7124841

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Coordinates	7124841.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H10 O5
Calculated formula	C15 H10 O5
Title of publication	Mechanochromism triggered fluorescent color switching among polymorphs of a natural fluorescence pigment.
Authors of publication	Li, Meiqi; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	75
Pages of publication	11288 - 11291
a	12.6343 ± 0.0006 Å
b	3.6437 ± 0.0002 Å
c	31.2026 ± 0.0014 Å
α	90°
β	95.706 ± 0.003°
γ	90°
Cell volume	1429.31 ± 0.12 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
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	0.1033
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1686
Weighted residual factors for all reflections included in the refinement	0.1967
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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