Crystallography Open Database

Information card for entry 7130177

Preview

Coordinates	7130177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H26 N4 O4
Calculated formula	C34 H26 N4 O4
SMILES	O(c1ccc(c(c1)C(=O)Nc1c2ncccc2ccc1)c1c(cc(OC)cc1)C(=O)Nc1c2ncccc2ccc1)C
Title of publication	A base-free copper-assisted synthesis of C2-symmetric spirotelluranes and biaryls based on divergent stoichiometry of Na2Te
Authors of publication	Batabyal, Monojit; Jain, Saket; Upadhyay, Aditya; Raju, Saravanan; Kumar, Sangit
Journal of publication	Chemical Communications
Year of publication	2022
a	7.2109 ± 0.0003 Å
b	13.1523 ± 0.0005 Å
c	14.1608 ± 0.0006 Å
α	79.216 ± 0.001°
β	83.65 ± 0.002°
γ	85.013 ± 0.001°
Cell volume	1308.18 ± 0.09 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	139.99 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0822
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.1164
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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