Crystallography Open Database

Information card for entry 4508380

Preview

Coordinates	4508380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 N2 O5
Calculated formula	C32 H26 N2 O5
Title of publication	Iodine-Catalyzed Cascade Formal [3 + 3] Cycloaddition Reaction of Indolyl Alcohol Derivatives with Enaminones: Constructions of Functionalized Spirodihydrocarbolines
Authors of publication	Hao, Wen-Juan; Wang, Shun-Yi; Ji, Shun-Jun
Journal of publication	ACS Catalysis
Year of publication	2013
Journal volume	3
Journal issue	11
Pages of publication	2501
a	9.231 ± 0.003 Å
b	10.439 ± 0.004 Å
c	15.222 ± 0.004 Å
α	92.356 ± 0.005°
β	94.503 ± 0.006°
γ	113.508 ± 0.008°
Cell volume	1336.7 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1466
Residual factor for significantly intense reflections	0.0842
Weighted residual factors for significantly intense reflections	0.1817
Weighted residual factors for all reflections included in the refinement	0.2128
Goodness-of-fit parameter for all reflections included in the refinement	1.124
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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