Crystallography Open Database

Information card for entry 7130178

Preview

Coordinates	7130178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H24 N2 O2
Calculated formula	C34 H24 N2 O2
SMILES	O=C(Nc1cccc2c1cccc2)c1c(c2ccccc2C(=O)Nc2cccc3c2cccc3)cccc1
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	8.8678 ± 0.0011 Å
b	34.13 ± 0.004 Å
c	8.4805 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2566.7 ± 0.5 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0556
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.0964
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298703 (current)	2025-04-03	cif/7: Fixing Z values and formulae	7130178.cif
275722	2022-06-02	cif/ Adding structures of 7130174, 7130175, 7130176, 7130177, 7130178, 7130179, 7130180, 7130181, 7130182 via cif-deposit CGI script.	7130178.cif