Crystallography Open Database

Information card for entry 7160224

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Coordinates	7160224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H42 N6 O6
Calculated formula	C42 H42 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	18.4033 ± 0.0005 Å
b	9.78786 ± 0.00018 Å
c	21.6095 ± 0.0007 Å
α	90°
β	113.206 ± 0.003°
γ	90°
Cell volume	3577.57 ± 0.18 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 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	0.0777
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.1982
Weighted residual factors for all reflections included in the refinement	0.2131
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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