Crystallography Open Database

Information card for entry 7119834

7119833 << 7119834 >> 7119835

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Coordinates	7119834.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H29 N
Calculated formula	C26 H29 N
SMILES	n1(c2ccccc2c2c1c(c(c(c2C)C)C)CCCC)Cc1ccccc1
Title of publication	PtCl4-catalyzed skeleton rearrangement-cyclization of tertiary indolyl-3-alkynols.
Authors of publication	Zhou, Jing; Qiu, Youai; Li, Junzhao; Fu, Chunling; Zhang, Xue; Ma, Shengming
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	34
Pages of publication	4722 - 4725
a	8.9286 ± 0.0013 Å
b	12.87 ± 0.0011 Å
c	17.609 ± 0.0015 Å
α	87.421 ± 0.007°
β	81.658 ± 0.009°
γ	86.987 ± 0.009°
Cell volume	1997.9 ± 0.4 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1312
Residual factor for significantly intense reflections	0.0993
Weighted residual factors for significantly intense reflections	0.3233
Weighted residual factors for all reflections included in the refinement	0.3412
Goodness-of-fit parameter for all reflections included in the refinement	1.133
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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