Crystallography Open Database

Information card for entry 7128292

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Structure parameters

Formula	C34 H23 N O
Calculated formula	C34 H23 N O
SMILES	O(c1ccc2c3c(c4c5c(n(c4c4ccc6cccc(c2c1)c6c34)C)cccc5)c1ccccc1)C
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	10.249 ± 0.004 Å
b	10.824 ± 0.006 Å
c	11.279 ± 0.004 Å
α	80.26 ± 0.013°
β	67.268 ± 0.013°
γ	85.1 ± 0.02°
Cell volume	1137.1 ± 0.9 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	0.1253
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1497
Weighted residual factors for all reflections included in the refinement	0.2084
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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