Crystallography Open Database

Information card for entry 7128291

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Structure parameters

Formula	C33 H22 Cl N O
Calculated formula	C33 H22 Cl N O
SMILES	Clc1ccc(c2c3c(c4[nH]c5c(c4c2c2ccc(OC)cc2)cccc5)ccc2ccccc32)cc1
Title of publication	Cascade annulative π-extension for the rapid construction of carbazole based polyaromatic hydrocarbons.
Authors of publication	Kundu, Samrat; Banerjee, Ankush; Pal, Shyam Chand; Ghosh, Meghna; Maji, Modhu Sudan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	47
Pages of publication	5762 - 5765
a	9.5167 ± 0.0014 Å
b	11.0235 ± 0.0017 Å
c	13.535 ± 0.002 Å
α	94.069 ± 0.011°
β	97.179 ± 0.01°
γ	99.905 ± 0.011°
Cell volume	1381.6 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.2816
Residual factor for significantly intense reflections	0.0845
Weighted residual factors for significantly intense reflections	0.1889
Weighted residual factors for all reflections included in the refinement	0.2585
Goodness-of-fit parameter for all reflections included in the refinement	0.741
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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