Crystallography Open Database

Information card for entry 7251221

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Coordinates	7251221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 N2 O2
Calculated formula	C26 H24 N2 O2
Title of publication	Metal-free stereoselective C(sp3)–H indolation of N-heterocycles to potent antimicrobial non-canonical tryp–pro hybrids
Authors of publication	Saha, Subhajit; Bag, Soumya Ranjan; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Jana, Chandan K.
Journal of publication	Green Chemistry
Year of publication	2026
Journal volume	28
Journal issue	1
Pages of publication	365 - 374
a	12.203 ± 0.003 Å
b	7.0304 ± 0.0014 Å
c	12.614 ± 0.003 Å
α	90°
β	103.755 ± 0.007°
γ	90°
Cell volume	1051.1 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0547
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1203
Weighted residual factors for all reflections included in the refinement	0.1227
Goodness-of-fit parameter for all reflections included in the refinement	1.141
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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