Crystallography Open Database

Information card for entry 7063266

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Coordinates	7063266.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H19 N O3
Calculated formula	C18 H19 N O3
Title of publication	I2/DMSO-mediated substrate selective oxidation of tetrahydro indole2,4-dione towards 4-hydroxy isatins and 5,6-dihydro-1H-indole-2,4-dione derivatives
Authors of publication	Sinha, Goutam; Pramanik, Sayan; Jana, Debashis; Ghosh, Anirban; Mukhopadhyay, Chhanda
Journal of publication	New Journal of Chemistry
Year of publication	2024
a	22.7753 ± 0.0007 Å
b	9.6966 ± 0.0003 Å
c	17.872 ± 0.0009 Å
α	90°
β	126.19 ± 0.001°
γ	90°
Cell volume	3185.4 ± 0.2 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 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	0.0864
Residual factor for significantly intense reflections	0.0638
Weighted residual factors for significantly intense reflections	0.1277
Weighted residual factors for all reflections included in the refinement	0.1383
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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