Crystallography Open Database

Information card for entry 2230258

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Structure parameters

Chemical name	Methyl 1-(7-acetamido-5,8-dimethoxyquinolin-2-yl)-4-methyl-β-carboline-3- carboxylate
Formula	C27 H24 N4 O5
Calculated formula	C27 H24 N4 O5
SMILES	O=C(OC)c1nc(c2[nH]c3c(c2c1C)cccc3)c1nc2c(OC)c(NC(=O)C)cc(OC)c2cc1
Title of publication	Methyl 1-(7-acetamido-5,8-dimethoxyquinolin-2-yl)-4-methyl-β-carboline-3-carboxylate
Authors of publication	Nissen, Felix; Schollmeyer, Dieter; Detert, Heiner
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	6
Pages of publication	o1497 - o1498
a	4.646 ± 0.01 Å
b	13.81 ± 0.03 Å
c	18.768 ± 0.019 Å
α	102.06 ± 0.09°
β	95.23 ± 0.1°
γ	96.85 ± 0.11°
Cell volume	1161 ± 4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.1829
Residual factor for significantly intense reflections	0.0826
Weighted residual factors for significantly intense reflections	0.1953
Weighted residual factors for all reflections included in the refinement	0.2478
Goodness-of-fit parameter for all reflections included in the refinement	0.988
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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