Crystallography Open Database

Information card for entry 7712971

Preview

Coordinates	7712971.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H26 N4 O3
Calculated formula	C38 H26 N4 O3
SMILES	O(c1ccc(n2c(nc3c2cccc3)c2c(O)cccc2)cc1)c1ccc(n2c3c(nc2c2c(O)cccc2)cccc3)cc1
Title of publication	2-Hydroxyphenyl Benzimidazoles and their Boron Complexes: Synthesis, Structure, Aggregation-Induced Emission and Picric acid Sensing
Authors of publication	Arumugam, Ramar; Nayak, Prakash; Dey, Bijoy; Kannan, Ramkumar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli
Journal of publication	Dalton Transactions
Year of publication	2023
a	19.9282 ± 0.0006 Å
b	13.776 ± 0.0005 Å
c	10.6142 ± 0.0004 Å
α	90°
β	96.567 ± 0.003°
γ	90°
Cell volume	2894.81 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0659
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1199
Weighted residual factors for all reflections included in the refinement	0.1311
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
283602 (current)	2023-05-09	cif/ Adding structures of 7712968, 7712969, 7712970, 7712971, 7712972, 7712973, 7712974, 7712975, 7712976, 7712977 via cif-deposit CGI script.	7712971.cif