Crystallography Open Database

Information card for entry 7122400

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Structure parameters

Formula	C42 H47 B N P
Calculated formula	C42 H47 B N P
Title of publication	Rational design of time-resolved turn-on fluorescence sensors: exploiting delayed fluorescence for hydrogen peroxide sensing.
Authors of publication	Lee, Young Hoon; Jana, Saibal; Lee, Heechai; Lee, Sang Uck; Lee, Min Hyung
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	85
Pages of publication	12069 - 12072
a	16.4464 ± 0.0003 Å
b	18.2277 ± 0.0003 Å
c	24.0228 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	7201.6 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.1032
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1543
Weighted residual factors for all reflections included in the refinement	0.1788
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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