Crystallography Open Database

Information card for entry 7244173

Preview

Coordinates	7244173.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H47 N5 O36 Pr3
Calculated formula	C35 H15 N5 O36 Pr3
Title of publication	Portrayal of the Color Polymorphism in the 5-Acetyl-derivative of ROY
Authors of publication	Nogueira, Bernardo Albuquerque; Carvalho, Maria; Paixão, José António; Eusébio, M. Ermelinda S.; Lopes, Susana M. M.; Pinho e Melo, Teresa M. V. D.; Fausto, Rui
Journal of publication	CrystEngComm
Year of publication	2022
a	22.3971 ± 0.0006 Å
b	13.9013 ± 0.0001 Å
c	17.865 ± 0.0005 Å
α	90°
β	114.487 ± 0.001°
γ	90°
Cell volume	5062 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1139
Residual factor for significantly intense reflections	0.0784
Weighted residual factors for significantly intense reflections	0.1559
Weighted residual factors for all reflections included in the refinement	0.1779
Goodness-of-fit parameter for all reflections included in the refinement	1.162
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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