Crystallography Open Database

Information card for entry 7712975

Preview

Coordinates	7712975.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H29 N5 O2
Calculated formula	C39 H29 N5 O2
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	18.8372 ± 0.0008 Å
b	9.9615 ± 0.0004 Å
c	17.4465 ± 0.0008 Å
α	90°
β	109.989 ± 0.005°
γ	90°
Cell volume	3076.6 ± 0.2 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	0.0734
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1389
Weighted residual factors for all reflections included in the refinement	0.1466
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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