Crystallography Open Database

Information card for entry 4038623

Preview

Coordinates	4038623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H36 F N3 O3
Calculated formula	C49 H36 F N3 O3
Title of publication	Catalytic Asymmetric Synthesis of 3,3'-Bisindoles Bearing Single Axial Chirality.
Authors of publication	Chen, Ke-Wei; Wang, Zhao-Shan; Wu, Ping; Yan, Xin-Yu; Zhang, Shu; Zhang, Yu-Chen; Shi, Feng
Journal of publication	The Journal of organic chemistry
Year of publication	2020
a	12.9213 ± 0.0003 Å
b	16.017 ± 0.0003 Å
c	20.8553 ± 0.0004 Å
α	104.882 ± 0.001°
β	91.17 ± 0.001°
γ	90.245 ± 0.001°
Cell volume	4170.37 ± 0.15 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0736
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1147
Weighted residual factors for all reflections included in the refinement	0.1286
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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