Crystallography Open Database

Information card for entry 7238746

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Structure parameters

Formula	C17 H19 N O5
Calculated formula	C17 H19 N O5
Title of publication	Oxidative rearrangement of indoles to oxindoles
Authors of publication	Moran, Wesley J.; MacRory, Kerry L.; Rodríguez, Arantxa
Journal of publication	RSC Advances
Year of publication	2012
Journal volume	2
Journal issue	24
Pages of publication	8962
a	14.215 ± 0.013 Å
b	7.397 ± 0.007 Å
c	16.759 ± 0.015 Å
α	90°
β	111.05 ± 0.02°
γ	90°
Cell volume	1645 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1201
Weighted residual factors for all reflections included in the refinement	0.1363
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7238746.cif
244327	2019-11-28	cif/ Adding structures of 7238746 via cif-deposit CGI script.	7238746.cif