Crystallography Open Database

Information card for entry 7159909

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Coordinates	7159909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H108 Br4 N8 O16 S8
Calculated formula	C124 H108 Br4 N8 O16 S8
Title of publication	A Highly Diastereoselective One-Pot Ugi/Radical Spirocyclization/Aza-Michael Addition Sequence
Authors of publication	Volla, Chandra; Khan, Salman; Chatterjee, Abhradeep; Nair, Akshay Murali
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2024
a	13.7999 ± 0.0004 Å
b	15.4016 ± 0.0004 Å
c	27.5518 ± 0.0008 Å
α	87.085 ± 0.002°
β	81.887 ± 0.002°
γ	82.628 ± 0.002°
Cell volume	5746.1 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1215
Residual factor for significantly intense reflections	0.0811
Weighted residual factors for significantly intense reflections	0.212
Weighted residual factors for all reflections included in the refinement	0.2553
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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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