Crystallography Open Database

Information card for entry 7235631

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Coordinates	7235631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H49 N O4
Calculated formula	C36 H49 N O4
Title of publication	A non-covalent complex based on catechol‒benzoxazole moieties: electrochemical synthesis and characterization
Authors of publication	Salehzadeh, Hamid; Nematollahi, Davood
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	46
Pages of publication	24207
a	14.9211 ± 0.0006 Å
b	9.5163 ± 0.0002 Å
c	23.0981 ± 0.0009 Å
α	90°
β	99.446 ± 0.003°
γ	90°
Cell volume	3235.3 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0843
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.1554
Weighted residual factors for all reflections included in the refinement	0.1631
Goodness-of-fit parameter for all reflections included in the refinement	1.19
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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