Crystallography Open Database

Information card for entry 4038752

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Coordinates	4038752.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H13 N O4
Calculated formula	C13 H13 N O4
Title of publication	Synthesis of 1H-Indole-2,3-dicarboxylates via Rhodium-catalyzed C-H Annulation of Arylhydrazines with Maleates.
Authors of publication	Zhang, Sheng; Li, He; Yamamoto, Yoshinori; Bao, Ming
Journal of publication	The Journal of organic chemistry
Year of publication	2020
a	25.037 ± 0.004 Å
b	26.193 ± 0.004 Å
c	7.1427 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	4684.1 ± 1.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0603
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.0998
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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