Crystallography Open Database

Information card for entry 7130923

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Coordinates	7130923.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H54 N6 O8
Calculated formula	C56 H54 N6 O8
Title of publication	Azobenzene-based unnatural amino acid scaffolds via Pd(II)-catalyzed C(sp3)-H arylation strategy
Authors of publication	Tomar, Radha; Suwasia, Sonam; Roychoudhury, Angshuman; Venkataramani, Sugumar; Babu, Srinivasarao Arulananda
Journal of publication	Chemical Communications
Year of publication	2022
a	13.6279 ± 0.0011 Å
b	14.2193 ± 0.0012 Å
c	14.7408 ± 0.0011 Å
α	69.902 ± 0.007°
β	75.36 ± 0.007°
γ	67.226 ± 0.008°
Cell volume	2449.6 ± 0.4 Å³
Cell temperature	160 ± 0.2 K
Ambient diffraction temperature	160 ± 0.2 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	0.1444
Residual factor for significantly intense reflections	0.0804
Weighted residual factors for significantly intense reflections	0.2125
Weighted residual factors for all reflections included in the refinement	0.2531
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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