Crystallography Open Database

Information card for entry 4037739

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Structure parameters

Formula	C24 H26 N2 O4
Calculated formula	C24 H26 N2 O4
SMILES	O(c1cc(OC)cc2C(N3C(=O)c4ccccc4C3=C(c12)C)C(=O)NC(C)(C)C)C
Title of publication	Diversity-Oriented Synthesis of Highly Fluorescent Fused-isoquinolines for Specific Subcellular Localization.
Authors of publication	Amador-Sánchez, Yoarhy A; Aguilar-Granda, Andres; Flores-Cruz, Ricardo; González-Calderón, Davir; Orta, Cynthia; Rodríguez-Molina, Braulio; Jiménez-Sánchez, Arturo; Miranda, Luis D.
Journal of publication	The Journal of organic chemistry
Year of publication	2019
a	10.213 ± 0.0002 Å
b	11.0231 ± 0.0002 Å
c	11.7635 ± 0.0002 Å
α	63.729 ± 0.001°
β	81.832 ± 0.001°
γ	64.098 ± 0.001°
Cell volume	1066.08 ± 0.04 Å³
Cell temperature	303 ± 2 K
Ambient diffraction temperature	303 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1027
Residual factor for significantly intense reflections	0.0733
Weighted residual factors for significantly intense reflections	0.1337
Weighted residual factors for all reflections included in the refinement	0.1495
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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