Crystallography Open Database

Information card for entry 7235139

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Structure parameters

Formula	C32 H37 B N2
Calculated formula	C32 H37 B N2
SMILES	N(c1ccc(N(C)C)cc1)(c1ccccc1)B(c1c(cc(C)cc1C)C)c1c(cc(cc1C)C)C
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	17.373 ± 0.003 Å
b	9.3612 ± 0.0014 Å
c	18.579 ± 0.003 Å
α	90°
β	113.262 ± 0.007°
γ	90°
Cell volume	2775.9 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0889
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1214
Weighted residual factors for all reflections included in the refinement	0.1374
Goodness-of-fit parameter for all reflections included in the refinement	0.966
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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