Crystallography Open Database

Information card for entry 7707102

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Coordinates	7707102.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H35 B N2 S
Calculated formula	C37 H35 B N2 S
Title of publication	Synthesis of pyrazole anchored three-coordinated organoboranes and their application in the detection of picric acid.
Authors of publication	Sa, Shreenibasa; Mukundam, Vanga; Kumari, Anupa; Das, Ritwick; Venkatasubbaiah, Krishnan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	18
Pages of publication	6204 - 6212
a	13.5234 ± 0.0003 Å
b	11.1663 ± 0.0003 Å
c	20.6115 ± 0.0005 Å
α	90°
β	93.494 ± 0.002°
γ	90°
Cell volume	3106.68 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
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	0.076
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1215
Weighted residual factors for all reflections included in the refinement	0.138
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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