Crystallography Open Database

Information card for entry 1550179

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Coordinates	1550179.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H121 K N4 O10 Ru4
Calculated formula	C100 H121 K N4 O10 Ru4
Title of publication	Brønsted Acid-Catalyzed Aromatic Annulation of Alkoxyallenes with Naphthols: A Reaction Sequence to Larger π-Conjugated Naphthopyrans with Aggregation-Induced Emission Characters
Authors of publication	Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiaochun; Jiang, Gaoxi
Journal of publication	Chemical Science
Year of publication	2019
a	9.3201 ± 0.0004 Å
b	15.1082 ± 0.0007 Å
c	17.7752 ± 0.0009 Å
α	110.273 ± 0.0015°
β	96.128 ± 0.0015°
γ	106.322 ± 0.0015°
Cell volume	2194.55 ± 0.18 Å³
Cell temperature	101 K
Ambient diffraction temperature	101.2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0641
Weighted residual factors for all reflections included in the refinement	0.0687
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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