Crystallography Open Database

Information card for entry 4031341

Preview

Coordinates	4031341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H27 N3 O2
Calculated formula	C34 H27 N3 O2
SMILES	n12cc(c3c1c(c(c1c2n(nc1c1ccccc1)C)C(=O)c1ccccc1)C(=O)CC3(C)C)c1ccccc1
Title of publication	Multicomponent Strategy to Pyrazolo[3,4-e]indolizine Derivatives under Microwave Irradiation.
Authors of publication	Wang, Jian-Jun; Feng, Xian; Xun, Zhan; Shi, Da-Qing; Huang, Zhi-Bin
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	16
Pages of publication	8435 - 8442
a	17.2205 ± 0.0017 Å
b	14.5659 ± 0.0013 Å
c	12.0921 ± 0.0011 Å
α	90°
β	116.552 ± 0.002°
γ	90°
Cell volume	2713.2 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1534
Residual factor for significantly intense reflections	0.0768
Weighted residual factors for significantly intense reflections	0.1879
Weighted residual factors for all reflections included in the refinement	0.218
Goodness-of-fit parameter for all reflections included in the refinement	1.12
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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