Crystallography Open Database

Information card for entry 7160223

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Coordinates	7160223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 N6 O6
Calculated formula	C36 H30 N6 O6
Title of publication	Chiral spherical aromatic amides: one-step synthesis and their stereochemical/chiroptical properties
Authors of publication	Koike, Daiki; Masu, Hyuma; Kikkawa, Shoko; Chiba, Ayako; Kamohara, Kaho; Okuda, Arisa; Hikawa, Hidemasa; Azumaya, Isao
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2024
a	29.5567 ± 0.0006 Å
b	29.5567 ± 0.0006 Å
c	18.0997 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	13693.5 ± 0.5 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.2395
Residual factor for significantly intense reflections	0.0931
Weighted residual factors for significantly intense reflections	0.1965
Weighted residual factors for all reflections included in the refinement	0.2615
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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