Crystallography Open Database

Information card for entry 7244879

Preview

Coordinates	7244879.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H15 N O
Calculated formula	C23 H15 N O
SMILES	O=C1n2c(c(C(=C)c3ccccc3)c3ccccc23)c2ccccc12
Title of publication	Sustainable preparation of photoactive indole-fused tetracyclic molecules: a new class of organophotocatalysts
Authors of publication	Bae, Jaehan; Iqbal, Naeem; Hwang, Ho Seong; Cho, Eun Jin
Journal of publication	Green Chemistry
Year of publication	2022
Journal volume	24
Journal issue	10
Pages of publication	3985 - 3992
a	5.6 ± 0.02 Å
b	14.98 ± 0.05 Å
c	9.85 ± 0.04 Å
α	90°
β	105.15 ± 0.04°
γ	90°
Cell volume	798 ± 5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1539
Residual factor for significantly intense reflections	0.0707
Weighted residual factors for significantly intense reflections	0.2264
Weighted residual factors for all reflections included in the refinement	0.2623
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
275784 (current)	2022-06-06	cif/ Updating files of 7244879 Original log message: Adding full bibliography for 7244879.cif.	7244879.cif
274821	2022-05-03	cif/ Adding structures of 7244879 via cif-deposit CGI script.	7244879.cif