Crystallography Open Database

Information card for entry 8105244

Preview

Coordinates	8105244.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H40 N4 O4
Calculated formula	C35 H40 N4 O4
Title of publication	Synthesis and crystal structure of 4,4′-di(4-pyridyl)-6,6′-di(tert-butyl)-2,2′-[propylenedioxybis(nitrilomethylidyne)]diphenol, C35H40N4O4
Authors of publication	Mu, Hao-Ran; Wang, Ji-Fa; Bian, Ruo-Nan; Dong, Wen-Kui
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	3
Pages of publication	643 - 644
a	29.1768 ± 0.0005 Å
b	6.0734 ± 0.0001 Å
c	18.0123 ± 0.0003 Å
α	90°
β	101.226 ± 0.001°
γ	90°
Cell volume	3130.75 ± 0.09 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 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	0.0453
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.1185
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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