Crystallography Open Database

Information card for entry 7127092

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Structure parameters

Formula	C31 H21 N O
Calculated formula	C31 H21 N O
SMILES	n12c(c(c3c1cccc3)c1ccccc1)c1c(OC2c2ccccc2)ccc2c1cccc2
Title of publication	Synthesis of polycyclic indoles <i>via</i> organocatalytic bicyclization of α-alkynylnaphthalen-2-ols with nitrones.
Authors of publication	Xu, Ting; Lin, Na; Hao, Wen-Juan; Zhang, Jie; Li, Meng-Fan; Tu, Shu-Jiang; Jiang, Bo
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	77
Pages of publication	11406 - 11409
a	10.6271 ± 0.0008 Å
b	10.757 ± 0.0008 Å
c	11.7417 ± 0.0009 Å
α	66.929 ± 0.001°
β	70.116 ± 0.002°
γ	62.767 ± 0.001°
Cell volume	1076.6 ± 0.14 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1133
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1376
Weighted residual factors for all reflections included in the refinement	0.1535
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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