Crystallography Open Database

Information card for entry 4519108

4519107 << 4519108 >> 4519109

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Coordinates	4519108.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 N O4
Calculated formula	C19 H17 N O4
SMILES	O(c1c2Nc3c4c(OC(C=C4)(C)C)cc(O)c3C(=O)c2ccc1)C
Title of publication	Studies Directed towards the Synthesis of the Acridone Family of Natural Products: Total Synthesis of Acronycines and Atalaphyllidines.
Authors of publication	Mandal, Tirtha; Karmakar, Shilpi; Kapat, Ajoy; Dash, Jyotirmayee
Journal of publication	ACS omega
Year of publication	2021
Journal volume	6
Journal issue	41
Pages of publication	27062 - 27069
a	21.358 ± 0.003 Å
b	7.2946 ± 0.0011 Å
c	22.017 ± 0.003 Å
α	90°
β	118.225 ± 0.002°
γ	90°
Cell volume	3022.3 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	4
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	0.0651
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1106
Weighted residual factors for all reflections included in the refinement	0.1222
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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