Crystallography Open Database

Information card for entry 7064404

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Coordinates	7064404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H11 N3 O0 S
Calculated formula	C16 H11 N3 S
Title of publication	Sustainably Driven ZnO Nanocatalytic Paradigm for Assembling Novel Bis-Heteroaryl Indole Frameworks: Robust Cytotoxic Profiling against HCT116 and MCF-7 Cells
Authors of publication	Kumar, Parveen; Mishra, Anurag; Kumar, Gourav; ., Baldev; Bhatia, Prisha; Jayadev, Sri krishna Magani; Nemiwal, Meena
Journal of publication	New Journal of Chemistry
Year of publication	2026
a	14.369 ± 0.0004 Å
b	9.8569 ± 0.0003 Å
c	11.8471 ± 0.0006 Å
α	90°
β	126.062 ± 0.001°
γ	90°
Cell volume	1356.42 ± 0.09 Å³
Cell temperature	109.85 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0307
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0846
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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