Crystallography Open Database

Information card for entry 7235140

Preview

Coordinates	7235140.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H21 B0.5 N1.5
Calculated formula	C17 H21 B0.5 N1.5
Title of publication	Replacing the non-polarized C[double bond, length as m-dash]C bond with an isoelectronic polarized B-N unit for the design and development of smart materials
Authors of publication	Kalluvettukuzhy K. Neena; Pakkirisamy Thilagar
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	11465 - 11473
a	20.5005 ± 0.0012 Å
b	12.535 ± 0.0007 Å
c	14.2586 ± 0.0008 Å
α	90°
β	105.861 ± 0.002°
γ	90°
Cell volume	3524.6 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
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	0.0929
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1691
Weighted residual factors for all reflections included in the refinement	0.1821
Goodness-of-fit parameter for all reflections included in the refinement	1.128
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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