Crystallography Open Database

Information card for entry 1531316

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Structure parameters

Chemical name	2,4-diphenyl-9H-carbazol-3-ol
Formula	C24 H17 N O
Calculated formula	C24 H17 N O
SMILES	c1(c(O)c(cc2c1c1ccccc1[nH]2)c1ccccc1)c1ccccc1
Title of publication	Construction of highly functionalized carbazoles via condensation of an enolate to a nitro group
Authors of publication	Poudel, Tej Narayan; Lee, Yong Rok
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	12
Pages of publication	7028
a	12.9997 ± 0.001 Å
b	21.3361 ± 0.0015 Å
c	13.502 ± 0.001 Å
α	90°
β	106.398 ± 0.002°
γ	90°
Cell volume	3592.6 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1063
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.1209
Goodness-of-fit parameter for all reflections included in the refinement	0.906
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301778 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/53 Each referenced PubChem compound corresponds to the full crystal structure.	1531316.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1531316.cif
170972	2015-12-09	cif/ Updating files of 1531316 Original log message: Adding full bibliography for 1531316.cif.	1531316.cif
156710	2015-09-17	cif/ Adding structures of 1531316 via cif-deposit CGI script.	1531316.cif