Crystallography Open Database

Information card for entry 7119371

7119370 << 7119371 >> 7119372

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Coordinates	7119371.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 B N S
Calculated formula	C30 H30 B N S
SMILES	S1c2c(N(B(c3c(cc(cc3C)C)C)c3c(cc(cc3C)C)C)c3ccccc13)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	13.7895 ± 0.0016 Å
b	19.91 ± 0.002 Å
c	18.5249 ± 0.0018 Å
α	90°
β	95.484 ± 0.005°
γ	90°
Cell volume	5062.7 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0614
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1507
Weighted residual factors for all reflections included in the refinement	0.1589
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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