Crystallography Open Database

Information card for entry 4034722

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Structure parameters

Formula	C32 H26 N2 O2
Calculated formula	C32 H26 N2 O2
SMILES	O(c1ccc(c2c(c3c(nc2c2ccc(OC)cc2)n(c2c3cccc2)C)c2ccccc2)cc1)C
Title of publication	Transition-Metal-Free, Brønsted Acid-Mediated Cascade Sequence in the Reaction of Propargyl Alcohols with Sulfonamido-indoles/-indolines: Highly Substituted δ- and α-Carbolines.
Authors of publication	Selvaraj, Karuppu; Swamy, K. C. Kumara
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	24
Pages of publication	15043 - 15056
a	10.7608 ± 0.0015 Å
b	11.6326 ± 0.0016 Å
c	11.9031 ± 0.0016 Å
α	83.679 ± 0.011°
β	67.103 ± 0.013°
γ	65.229 ± 0.014°
Cell volume	1243.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1308
Residual factor for significantly intense reflections	0.0673
Weighted residual factors for significantly intense reflections	0.1322
Weighted residual factors for all reflections included in the refinement	0.1796
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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