Crystallography Open Database

Information card for entry 1577159

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Coordinates	1577159.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H24 N2 O
Calculated formula	C31 H24 N2 O
Title of publication	Atroposelective construction of indole-fused diazocines via gold(I)-catalysed 8-endo-dig cyclisation
Authors of publication	Meraviglia, Silvia; Romanelli, Alessandra; Iannelli, Paola; Rizzato, Silvia; Contini, Alessandro; Abbiati, Giorgio; Pirovano, Valentina
Journal of publication	Chemical Science
Year of publication	2026
a	8.7601 ± 0.0001 Å
b	15.8369 ± 0.0002 Å
c	34.4002 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4772.44 ± 0.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.3 ± 0.2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1322
Weighted residual factors for all reflections included in the refinement	0.1365
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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