Crystallography Open Database

Information card for entry 7119372

7119371 << 7119372 >> 7119373

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Structure parameters

Formula	C28 H26 B N S
Calculated formula	C28 H26 B N S
SMILES	S1c2c(N(c3ccccc13)B(c1c(cccc1C)C)c1c(C)cccc1C)cccc2
Title of publication	Diarylboryl-phenothiazine based multifunctional molecular siblings.
Authors of publication	Neena, Kalluvettukuzhy K.; Sudhakar, Pagidi; Dipak, Kumbhar; Thilagar, Pakkirisamy
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	26
Pages of publication	3641 - 3644
a	18.7282 ± 0.0006 Å
b	18.7282 ± 0.0006 Å
c	34.3232 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	10425.8 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.1226
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1221
Weighted residual factors for all reflections included in the refinement	0.1568
Goodness-of-fit parameter for all reflections included in the refinement	0.989
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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