Crystallography Open Database

Information card for entry 7242947

Preview

Coordinates	7242947.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H22 N4
Calculated formula	C30 H22 N4
SMILES	c12n(nnc2c2ccccc2)Cc2c(C1(c1ccccc1)c1ccccc1)c1ccccc1[nH]2
Title of publication	Synthesis of tetrahydro-β-carbolines from 2-indolylmethyl azides and propargylic alcohols
Authors of publication	Yin, Haiting; Ma, Qin; Wang, Yushan; Gu, Xiaoxia; Feng, Zhijun; Wu, Yunjun; Wang, Ming; Wang, Shaoyin
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	32
Pages of publication	19639 - 19646
a	12.3091 ± 0.0008 Å
b	14.2045 ± 0.0009 Å
c	16.5877 ± 0.0011 Å
α	90°
β	101.973 ± 0.001°
γ	90°
Cell volume	2837.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0662
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1336
Weighted residual factors for all reflections included in the refinement	0.1444
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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