Crystallography Open Database

Information card for entry 4035784

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Structure parameters

Formula	C40 H35 Cl N2 O
Calculated formula	C40 H35 Cl N2 O
SMILES	c1ccccc1CN1C(=O)C(c2cc(ccc12)Cl)c1c(c2ccc(C)cc2)c2c(c3CCCCCc13)c1ccccc1n2C
Title of publication	Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.
Authors of publication	Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	11
Pages of publication	5909 - 5919
a	11.4683 ± 0.0017 Å
b	12.6934 ± 0.0017 Å
c	13.202 ± 0.0019 Å
α	76.23 ± 0.005°
β	74.653 ± 0.005°
γ	78.53 ± 0.003°
Cell volume	1781 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1319
Residual factor for significantly intense reflections	0.0871
Weighted residual factors for significantly intense reflections	0.2474
Weighted residual factors for all reflections included in the refinement	0.262
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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