Crystallography Open Database

Information card for entry 7134017

Preview

Coordinates	7134017.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H26 N5 O7 S
Calculated formula	C33 H26 N5 O7 S
Title of publication	Stabilizing 4π electron pyrrolyl cations by inducing aromaticity.
Authors of publication	Gupta, Astha; Dar, Mohammad Ovais; Singh, Tejender; Dubey, Gurudutt; Sahoo, Subash C.; Bharatam, Prasad V.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	61
Journal issue	1
Pages of publication	105 - 108
a	11.0277 ± 0.0005 Å
b	12.5158 ± 0.0004 Å
c	13.0402 ± 0.0005 Å
α	72.121 ± 0.004°
β	65.597 ± 0.004°
γ	88.754 ± 0.003°
Cell volume	1548.36 ± 0.13 Å³
Cell temperature	222 ± 2 K
Ambient diffraction temperature	222.15 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	0.1414
Residual factor for significantly intense reflections	0.1043
Weighted residual factors for significantly intense reflections	0.3178
Weighted residual factors for all reflections included in the refinement	0.3471
Goodness-of-fit parameter for all reflections included in the refinement	1.2458
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7134017.html