Crystallography Open Database

Information card for entry 4027623

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Structure parameters

Formula	C30 H23 N
Calculated formula	C30 H23 N
SMILES	n1(c2C(c3ccccc3)(c3ccccc3)C=C(c2c2ccccc12)c1ccccc1)C
Title of publication	3-Alkenylation or 3-Alkylation of Indole with Propargylic Alcohols: Construction of 3,4-Dihydrocyclopenta[b]indole and 1,4-Dihydrocyclopenta[b]indole in the Presence of Different Catalysts
Authors of publication	Li Zhang; Yuanxun Zhu; Guangwei Yin; Ping Lu; Yanguang Wang
Journal of publication	Journal of Organic Chemistry
Year of publication	2012
Journal volume	77
Pages of publication	9510 - 9520
a	6.8494 ± 0.0003 Å
b	12.5402 ± 0.0004 Å
c	12.5449 ± 0.0005 Å
α	90°
β	96.212 ± 0.004°
γ	90°
Cell volume	1071.19 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0818
Weighted residual factors for all reflections included in the refinement	0.088
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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