Crystallography Open Database

Information card for entry 1574680

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Coordinates	1574680.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	10-Br-b
Formula	C16 H38 Br2 N2
Calculated formula	C16 H38 Br2 N2
Title of publication	Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores
Authors of publication	Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	25
Pages of publication	11530 - 11538
a	11.9427 ± 0.0002 Å
b	11.6291 ± 0.0002 Å
c	28.3098 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3931.75 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0265
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.0564
Weighted residual factors for all reflections included in the refinement	0.0578
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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