Crystallography Open Database

Information card for entry 4517743

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Coordinates	4517743.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H46 N10 O6
Calculated formula	C58 H46 N10 O6
Title of publication	Scaffolding-induced property modulation of chemical space.
Authors of publication	Li, Jingyao; Di Lorenzo, Vincenzo; Patil, Pravin; Ruiz Moreno, Angel J.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Velasco-Velázquez, Marco A; Dömling, Alexander
Journal of publication	ACS combinatorial science
Year of publication	2020
a	23.61 ± 0.0006 Å
b	8.2626 ± 0.0001 Å
c	12.5919 ± 0.0003 Å
α	90°
β	97.306 ± 0.002°
γ	90°
Cell volume	2436.48 ± 0.09 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.079
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for significantly intense reflections	0.1717
Weighted residual factors for all reflections included in the refinement	0.1821
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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